SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'MTA'


List of Similar Pattern of Amino Acids

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 on the DrReposER ID to view details on interfaces and similar patterns of amino acids)
(Click on the view link on the last column to view superposed patterns of amino acids)
Filter list by:
DrReposER ID / Desc. Hit
PDBID		 Hit
Macromolecule		 Res.
Matches		 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.
1A4L_D_DCFD1853_2
(ADENOSINE DEAMINASE)		 3anx SPERMIDINE SYNTHASE
(Thermus
thermophilus) 		4 / 4 HIS A  64
LEU A  49
LEU A 113
LEU A 136
 None
MTA  A 315 ( 4.4A)
None
None
 1.15A 1a4lD-3anxA:
undetectable		 1a4lD-3anxA:
22.74
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.
1EIZ_A_SAMA301_1
(FTSJ)		 3anx SPERMIDINE SYNTHASE
(Thermus
thermophilus) 		3 / 3 ASP A 108
ASP A 140
ASP A 158
 MTA  A 315 (-3.3A)
MTA  A 315 (-3.9A)
MTA  A 315 (-4.9A)
 0.77A 1eizA-3anxA:
11.2		 1eizA-3anxA:
20.43
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.
1I7Q_A_BEZA1501_0
(ANTHRANILATE
SYNTHASE)		 2yy8 UPF0106 PROTEIN
PH0461
(Pyrococcus
horikoshii) 		5 / 11 ILE A  33
THR A  18
GLU A 134
LEU A   5
GLY A 109
 None
None
MTA  A 400 (-4.0A)
None
MTA  A 400 (-3.3A)
 1.30A 1i7qA-2yy8A:
undetectable		 1i7qA-2yy8A:
16.47
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.
1JG3_A_ADNA500_1
(PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE)		 4uoe SPERMIDINE SYNTHASE
(Plasmodium
falciparum) 		5 / 11 GLY A 124
GLY A 126
GLU A 147
ASP A 178
LEU A 207
 MTA  A 401 (-3.5A)
MTA  A 401 ( 4.5A)
MTA  A 401 (-2.7A)
MTA  A 401 (-3.2A)
MTA  A 401 (-4.4A)
 0.89A 1jg3A-4uoeA:
7.7		 1jg3A-4uoeA:
23.33
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.
1JG3_B_ADNB550_1
(PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE)		 4uoe SPERMIDINE SYNTHASE
(Plasmodium
falciparum) 		5 / 11 GLY A 124
GLY A 126
GLU A 147
ASP A 178
LEU A 207
 MTA  A 401 (-3.5A)
MTA  A 401 ( 4.5A)
MTA  A 401 (-2.7A)
MTA  A 401 (-3.2A)
MTA  A 401 (-4.4A)
 0.90A 1jg3B-4uoeA:
2.1		 1jg3B-4uoeA:
23.33
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.
1L7X_B_CFFB1863_1
(GLYCOGEN
PHOSPHORYLASE, LIVER
FORM)		 2yy8 UPF0106 PROTEIN
PH0461
(Pyrococcus
horikoshii) 		4 / 6 ASN A 129
HIS A 132
ALA A 126
GLY A  84
 None
MTA  A 400 (-3.7A)
MTA  A 400 (-4.3A)
None
 1.14A 1l7xB-2yy8A:
undetectable		 1l7xB-2yy8A:
12.28
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.
1N2X_B_SAMB402_0
(S-ADENOSYL-METHYLTRA
NSFERASE MRAW)		 3c6m SPERMINE SYNTHASE
(Homo
sapiens) 		5 / 12 GLY A 200
GLY A 202
GLY A 203
ASP A 222
VAL A 225
 MTA  A 401 (-3.7A)
None
None
None
MTA  A 401 (-4.2A)
 0.74A 1n2xB-3c6mA:
14.0		 1n2xB-3c6mA:
22.03
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.
1N2X_B_SAMB402_0
(S-ADENOSYL-METHYLTRA
NSFERASE MRAW)		 4uoe SPERMIDINE SYNTHASE
(Plasmodium
falciparum) 		6 / 12 GLY A 126
GLY A 128
GLY A 129
HIS A 103
ASP A 149
VAL A 152
 MTA  A 401 ( 4.5A)
None
None
None
None
MTA  A 401 (-4.3A)
 1.43A 1n2xB-4uoeA:
13.1		 1n2xB-4uoeA:
23.94
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.
1N49_D_RITD401_2
(PROTEASE)		 3anx SPERMIDINE SYNTHASE
(Thermus
thermophilus) 		4 / 6 ASP A 140
GLY A  85
ILE A  83
ILE A 138
 MTA  A 315 (-3.9A)
MTA  A 315 (-3.2A)
None
None
 0.94A 1n49D-3anxA:
undetectable		 1n49D-3anxA:
20.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1NT2_A_SAMA301_0
(FIBRILLARIN-LIKE
PRE-RRNA PROCESSING
PROTEIN)		 2ipx RRNA
2'-O-METHYLTRANSFERA
SE FIBRILLARIN
(Homo
sapiens) 		5 / 12 GLY A 168
ALA A 170
SER A 171
ALA A 218
GLN A 240
 MTA  A4001 (-3.3A)
MTA  A4001 (-3.6A)
None
MTA  A4001 (-3.4A)
MTA  A4001 (-4.0A)
 1.07A 1nt2A-2ipxA:
27.5		 1nt2A-2ipxA:
43.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1NT2_A_SAMA301_0
(FIBRILLARIN-LIKE
PRE-RRNA PROCESSING
PROTEIN)		 2ipx RRNA
2'-O-METHYLTRANSFERA
SE FIBRILLARIN
(Homo
sapiens) 		5 / 12 LYS A 144
TYR A 166
THR A 174
SER A 194
GLN A 240
 None
None
None
None
MTA  A4001 (-4.0A)
 1.13A 1nt2A-2ipxA:
27.5		 1nt2A-2ipxA:
43.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1NT2_A_SAMA301_0
(FIBRILLARIN-LIKE
PRE-RRNA PROCESSING
PROTEIN)		 2ipx RRNA
2'-O-METHYLTRANSFERA
SE FIBRILLARIN
(Homo
sapiens) 		8 / 12 TYR A 166
GLY A 168
ALA A 170
THR A 174
SER A 194
ALA A 218
ASP A 237
GLN A 240
 None
MTA  A4001 (-3.3A)
MTA  A4001 (-3.6A)
None
None
MTA  A4001 (-3.4A)
MTA  A4001 (-4.3A)
MTA  A4001 (-4.0A)
 0.85A 1nt2A-2ipxA:
27.5		 1nt2A-2ipxA:
43.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1NT2_A_SAMA301_1
(FIBRILLARIN-LIKE
PRE-RRNA PROCESSING
PROTEIN)		 2ipx RRNA
2'-O-METHYLTRANSFERA
SE FIBRILLARIN
(Homo
sapiens) 		3 / 3 THR A 173
GLU A 192
ASP A 217
 None
MTA  A4001 (-2.7A)
MTA  A4001 (-3.4A)
 0.23A 1nt2A-2ipxA:
27.5		 1nt2A-2ipxA:
43.78
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.
1PWY_E_AC2E290_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 3t94 5'-METHYLTHIOADENOSI
NE PHOSPHORYLASE
(MTAP)
(Sulfolobus
solfataricus) 		5 / 10 GLY A  94
PHE A 170
GLY A 189
MET A 190
THR A 213
 MTA  A 901 (-3.6A)
MTA  A 901 (-4.9A)
MTA  A 901 (-3.5A)
MTA  A 901 (-3.9A)
MTA  A 901 ( 4.7A)
 0.40A 1pwyE-3t94A:
25.6		 1pwyE-3t94A:
29.15
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.
1QAO_A_SAMA245_0
(ERMC'
METHYLTRANSFERASE)		 3anx SPERMIDINE SYNTHASE
(Thermus
thermophilus) 		5 / 12 GLY A  85
GLY A  87
ILE A 109
ASP A 110
ASP A 140
 MTA  A 315 (-3.2A)
MTA  A 315 (-4.0A)
MTA  A 315 (-3.7A)
None
MTA  A 315 (-3.9A)
 0.70A 1qaoA-3anxA:
8.1		 1qaoA-3anxA:
18.87
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.
1QAO_A_SAMA245_0
(ERMC'
METHYLTRANSFERASE)		 3c6m SPERMINE SYNTHASE
(Homo
sapiens) 		5 / 12 GLY A 198
GLY A 200
ILE A 221
ASP A 222
ASP A 255
 MTA  A 401 (-3.3A)
MTA  A 401 (-3.7A)
MTA  A 401 (-3.8A)
None
MTA  A 401 (-3.6A)
 0.58A 1qaoA-3c6mA:
10.9		 1qaoA-3c6mA:
20.78
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.
1QAO_A_SAMA245_0
(ERMC'
METHYLTRANSFERASE)		 4uoe SPERMIDINE SYNTHASE
(Plasmodium
falciparum) 		5 / 12 GLY A 124
GLY A 126
ILE A 148
ASP A 149
ASP A 178
 MTA  A 401 (-3.5A)
MTA  A 401 ( 4.5A)
MTA  A 401 (-3.8A)
None
MTA  A 401 (-3.2A)
 0.62A 1qaoA-4uoeA:
9.2		 1qaoA-4uoeA:
21.85
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.
1QAO_A_SAMA245_0
(ERMC'
METHYLTRANSFERASE)		 5xnc -
(-) 		5 / 12 GLY A 157
ILE A 180
ASP A 181
LEU A 184
ASP A 206
 MTA  A 401 ( 3.7A)
MTA  A 401 (-3.6A)
None
MTA  A 401 (-4.6A)
MTA  A 401 (-3.6A)
 0.44A 1qaoA-5xncA:
11.6		 1qaoA-5xncA:
undetectable
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.
1QZZ_A_ACTA421_0
(ACLACINOMYCIN-10-HYD
ROXYLASE)		 3c6m SPERMINE SYNTHASE
(Homo
sapiens) 		4 / 8 GLY A 199
GLY A 202
GLY A 203
LEU A 205
 MTA  A 401 (-3.9A)
None
None
None
 0.37A 1qzzA-3c6mA:
14.8		 1qzzA-3c6mA:
25.79
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.
1QZZ_A_ACTA421_0
(ACLACINOMYCIN-10-HYD
ROXYLASE)		 3c6m SPERMINE SYNTHASE
(Homo
sapiens) 		4 / 8 GLY A 200
GLY A 202
GLY A 203
LEU A 205
 MTA  A 401 (-3.7A)
None
None
None
 0.61A 1qzzA-3c6mA:
14.8		 1qzzA-3c6mA:
25.79
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.
1QZZ_A_SAMA635_0
(ACLACINOMYCIN-10-HYD
ROXYLASE)		 3c6m SPERMINE SYNTHASE
(Homo
sapiens) 		5 / 12 GLY A 198
GLY A 199
GLY A 200
GLU A 220
ASP A 255
 MTA  A 401 (-3.3A)
MTA  A 401 (-3.9A)
MTA  A 401 (-3.7A)
MTA  A 401 (-2.5A)
MTA  A 401 (-3.6A)
 0.59A 1qzzA-3c6mA:
14.8		 1qzzA-3c6mA:
25.79
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.
1QZZ_A_SAMA635_0
(ACLACINOMYCIN-10-HYD
ROXYLASE)		 4uoe SPERMIDINE SYNTHASE
(Plasmodium
falciparum) 		5 / 12 GLY A 124
GLY A 125
GLY A 126
GLU A 147
ASP A 178
 MTA  A 401 (-3.5A)
MTA  A 401 (-3.8A)
MTA  A 401 ( 4.5A)
MTA  A 401 (-2.7A)
MTA  A 401 (-3.2A)
 0.76A 1qzzA-4uoeA:
12.0		 1qzzA-4uoeA:
18.30
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.
1RNR_B_DAHB208_1
(RIBONUCLEOTIDE
REDUCTASE R1 PROTEIN)		 3c6m SPERMINE SYNTHASE
(Homo
sapiens) 		5 / 12 ASP A 222
GLU A 220
LEU A 162
SER A 165
ILE A 282
 None
MTA  A 401 (-2.5A)
None
None
MTA  A 401 (-3.6A)
 1.21A 1rnrB-3c6mA:
undetectable		 1rnrB-3c6mA:
19.55
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.
1SQF_A_SAMA430_0
(SUN PROTEIN)		 3c6m SPERMINE SYNTHASE
(Homo
sapiens) 		5 / 12 GLY A 202
GLY A 203
ILE A 221
ASP A 222
ASP A 255
 None
None
MTA  A 401 (-3.8A)
None
MTA  A 401 (-3.6A)
 0.34A 1sqfA-3c6mA:
11.2		 1sqfA-3c6mA:
22.55
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.
1SQF_A_SAMA430_0
(SUN PROTEIN)		 4uoe SPERMIDINE SYNTHASE
(Plasmodium
falciparum) 		5 / 12 GLY A 128
GLY A 129
ILE A 148
ASP A 149
ASP A 178
 None
None
MTA  A 401 (-3.8A)
None
MTA  A 401 (-3.2A)
 0.37A 1sqfA-4uoeA:
10.2		 1sqfA-4uoeA:
19.77
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.
1T03_P_TFOP822_1
(POL POLYPROTEIN
SYNTHETIC
OLIGONUCLEOTIDE
PRIMER)		 5w8d AUTOINDUCER SYNTHASE
(Bradyrhizobium
japonicum) 		4 / 7 TYR A  48
ASP A  50
ASP A  49
HIS A  20
 MTA  A 301 (-4.8A)
None
None
None
 1.21A 1t03A-5w8dA:
undetectable		 1t03A-5w8dA:
17.51
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.
1UTD_F_TRPF81_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 3t94 5'-METHYLTHIOADENOSI
NE PHOSPHORYLASE
(MTAP)
(Sulfolobus
solfataricus) 		4 / 8 GLY A 189
ALA A 210
THR A 213
ILE A 187
 MTA  A 901 (-3.5A)
None
MTA  A 901 ( 4.7A)
None
 0.81A 1utdF-3t94A:
undetectable
1utdG-3t94A:
undetectable		 1utdF-3t94A:
16.48
1utdG-3t94A:
16.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1V2X_A_SAMA400_0
(TRNA (GM18)
METHYLTRANSFERASE)		 5co4 PUTATIVE TRNA
(CYTIDINE(34)-2'-O)-
METHYLTRANSFERASE
(Thermus
thermophilus) 		5 / 12 GLY B 106
LYS B 119
ILE B 120
MET B 122
LEU B 129
 MTA  B 401 (-3.2A)
None
MTA  B 401 (-3.7A)
MTA  B 401 (-3.4A)
MTA  B 401 (-4.3A)
 0.77A 1v2xA-5co4B:
17.7		 1v2xA-5co4B:
33.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1V2X_A_SAMA400_0
(TRNA (GM18)
METHYLTRANSFERASE)		 5co4 PUTATIVE TRNA
(CYTIDINE(34)-2'-O)-
METHYLTRANSFERASE
(Thermus
thermophilus) 		9 / 12 PHE B 100
GLY B 101
GLY B 106
LYS B 119
ILE B 120
MET B 122
SER B 128
LEU B 129
ALA B 134
 MTA  B 401 (-4.9A)
MTA  B 401 (-3.2A)
MTA  B 401 (-3.2A)
None
MTA  B 401 (-3.7A)
MTA  B 401 (-3.4A)
MTA  B 401 ( 3.9A)
MTA  B 401 (-4.3A)
MTA  B 401 (-3.5A)
 0.56A 1v2xA-5co4B:
17.7		 1v2xA-5co4B:
33.67
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.
1V3Q_E_2DIE290_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 3t94 5'-METHYLTHIOADENOSI
NE PHOSPHORYLASE
(MTAP)
(Sulfolobus
solfataricus) 		5 / 10 GLY A  94
PHE A 170
GLY A 189
MET A 190
THR A 213
 MTA  A 901 (-3.6A)
MTA  A 901 (-4.9A)
MTA  A 901 (-3.5A)
MTA  A 901 (-3.9A)
MTA  A 901 ( 4.7A)
 0.39A 1v3qE-3t94A:
26.1		 1v3qE-3t94A:
29.15
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.
1VPO_H_TESH1010_1
(ANTI-TESTOSTERONE
(HEAVY CHAIN)
ANTI-TESTOSTERONE
(LIGHT CHAIN))		 5wt3 TRNA
(GUANINE(37)-N1)-MET
HYLTRANSFERASE TRM5A
(Pyrococcus
abyssi) 		5 / 12 TYR A 282
ALA A 192
TYR A 197
GLY A 193
ARG A 174
 None
None
None
MTA  A 401 (-3.6A)
None
 1.33A 1vpoH-5wt3A:
undetectable
1vpoL-5wt3A:
undetectable		 1vpoH-5wt3A:
15.38
1vpoL-5wt3A:
14.93
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.
1X1A_A_SAMA4264_0
(CRTF-RELATED PROTEIN)		 3anx SPERMIDINE SYNTHASE
(Thermus
thermophilus) 		5 / 12 TYR A  63
GLU A  88
ALA A 128
GLY A  85
GLY A  87
 None
None
None
MTA  A 315 (-3.2A)
MTA  A 315 (-4.0A)
 1.13A 1x1aA-3anxA:
11.8		 1x1aA-3anxA:
23.97
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.
1X7P_A_SAMA301_0
(RRNA
METHYLTRANSFERASE)		 5co4 PUTATIVE TRNA
(CYTIDINE(34)-2'-O)-
METHYLTRANSFERASE
(Thermus
thermophilus) 		7 / 11 GLY B 101
GLY B 106
ILE B 120
MET B 122
SER B 128
LEU B 129
ALA B 134
 MTA  B 401 (-3.2A)
MTA  B 401 (-3.2A)
MTA  B 401 (-3.7A)
MTA  B 401 (-3.4A)
MTA  B 401 ( 3.9A)
MTA  B 401 (-4.3A)
MTA  B 401 (-3.5A)
 0.77A 1x7pA-5co4B:
19.4
1x7pB-5co4B:
19.6		 1x7pA-5co4B:
26.07
1x7pB-5co4B:
26.07
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.
1X7P_B_SAMB302_0
(RRNA
METHYLTRANSFERASE)		 5co4 PUTATIVE TRNA
(CYTIDINE(34)-2'-O)-
METHYLTRANSFERASE
(Thermus
thermophilus) 		6 / 10 GLY B 101
GLY B 106
ILE B 120
MET B 122
LEU B 129
ALA B 134
 MTA  B 401 (-3.2A)
MTA  B 401 (-3.2A)
MTA  B 401 (-3.7A)
MTA  B 401 (-3.4A)
MTA  B 401 (-4.3A)
MTA  B 401 (-3.5A)
 0.56A 1x7pA-5co4B:
19.4
1x7pB-5co4B:
19.6		 1x7pA-5co4B:
26.07
1x7pB-5co4B:
26.07
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.
1XDS_A_SAMA5635_0
(PROTEIN RDMB)		 3c6m SPERMINE SYNTHASE
(Homo
sapiens) 		5 / 12 GLY A 198
GLY A 199
GLY A 200
GLU A 220
ASP A 255
 MTA  A 401 (-3.3A)
MTA  A 401 (-3.9A)
MTA  A 401 (-3.7A)
MTA  A 401 (-2.5A)
MTA  A 401 (-3.6A)
 0.61A 1xdsA-3c6mA:
6.7		 1xdsA-3c6mA:
25.79
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.
1XDS_A_SAMA5635_0
(PROTEIN RDMB)		 4uoe SPERMIDINE SYNTHASE
(Plasmodium
falciparum) 		5 / 12 GLY A 124
GLY A 125
GLY A 126
GLU A 147
ASP A 178
 MTA  A 401 (-3.5A)
MTA  A 401 (-3.8A)
MTA  A 401 ( 4.5A)
MTA  A 401 (-2.7A)
MTA  A 401 (-3.2A)
 0.78A 1xdsA-4uoeA:
10.3		 1xdsA-4uoeA:
18.30
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.
1XDS_B_SAMB9635_0
(PROTEIN RDMB)		 3c6m SPERMINE SYNTHASE
(Homo
sapiens) 		5 / 12 GLY A 198
GLY A 199
GLY A 200
GLU A 220
ASP A 255
 MTA  A 401 (-3.3A)
MTA  A 401 (-3.9A)
MTA  A 401 (-3.7A)
MTA  A 401 (-2.5A)
MTA  A 401 (-3.6A)
 0.60A 1xdsB-3c6mA:
13.8		 1xdsB-3c6mA:
25.79
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.
1XDS_B_SAMB9635_0
(PROTEIN RDMB)		 4uoe SPERMIDINE SYNTHASE
(Plasmodium
falciparum) 		5 / 12 GLY A 124
GLY A 125
GLY A 126
GLU A 147
ASP A 178
 MTA  A 401 (-3.5A)
MTA  A 401 (-3.8A)
MTA  A 401 ( 4.5A)
MTA  A 401 (-2.7A)
MTA  A 401 (-3.2A)
 0.76A 1xdsB-4uoeA:
10.9		 1xdsB-4uoeA:
18.30
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.
2AC7_B_ADNB1215_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 5xnc -
(-) 		5 / 11 ARG A 118
ARG A 138
GLY A 157
VAL A 155
ASP A 179
 None
None
MTA  A 401 ( 3.7A)
None
MTA  A 401 (-2.8A)
 1.45A 2ac7A-5xncA:
undetectable
2ac7B-5xncA:
undetectable		 2ac7A-5xncA:
undetectable
2ac7B-5xncA:
undetectable
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.
2ADM_A_SAMA500_0
(ADENINE-N6-DNA-METHY
LTRANSFERASE TAQI)		 5wt3 TRNA
(GUANINE(37)-N1)-MET
HYLTRANSFERASE TRM5A
(Pyrococcus
abyssi) 		6 / 11 PRO A 196
GLU A 213
ILE A 214
ALA A 218
ASP A 243
PRO A 262
 None
MTA  A 401 (-3.5A)
MTA  A 401 (-3.7A)
None
MTA  A 401 (-3.3A)
G  C  37 ( 4.1A)
 0.74A 2admA-5wt3A:
12.1		 2admA-5wt3A:
undetectable
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.
2ADM_A_SAMA500_0
(ADENINE-N6-DNA-METHY
LTRANSFERASE TAQI)		 5xnc -
(-) 		5 / 11 ILE A 180
ALA A 122
ASP A 206
PRO A 227
PHE A 236
 MTA  A 401 (-3.6A)
None
MTA  A 401 (-3.6A)
MTA  A 401 (-3.7A)
MTA  A 401 (-4.8A)
 1.31A 2admA-5xncA:
11.6		 2admA-5xncA:
undetectable
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.
2ADM_B_SAMB500_0
(ADENINE-N6-DNA-METHY
LTRANSFERASE TAQI)		 5wt3 TRNA
(GUANINE(37)-N1)-MET
HYLTRANSFERASE TRM5A
(Pyrococcus
abyssi) 		6 / 11 PRO A 196
GLU A 213
ILE A 214
ALA A 218
ASP A 243
PRO A 262
 None
MTA  A 401 (-3.5A)
MTA  A 401 (-3.7A)
None
MTA  A 401 (-3.3A)
G  C  37 ( 4.1A)
 0.77A 2admB-5wt3A:
11.8		 2admB-5wt3A:
undetectable
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.
2ADM_B_SAMB500_0
(ADENINE-N6-DNA-METHY
LTRANSFERASE TAQI)		 5xnc -
(-) 		5 / 11 ILE A 180
ALA A 122
ASP A 206
PRO A 227
PHE A 236
 MTA  A 401 (-3.6A)
None
MTA  A 401 (-3.6A)
MTA  A 401 (-3.7A)
MTA  A 401 (-4.8A)
 1.30A 2admB-5xncA:
11.6		 2admB-5xncA:
undetectable
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.
2B25_B_SAMB602_1
(HYPOTHETICAL PROTEIN)		 2ipx RRNA
2'-O-METHYLTRANSFERA
SE FIBRILLARIN
(Homo
sapiens) 		3 / 3 GLY A 168
GLU A 192
ASP A 237
 MTA  A4001 (-3.3A)
MTA  A4001 (-2.7A)
MTA  A4001 (-4.3A)
 0.29A 2b25B-2ipxA:
14.6		 2b25B-2ipxA:
22.29
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.
2B25_B_SAMB602_1
(HYPOTHETICAL PROTEIN)		 3c6m SPERMINE SYNTHASE
(Homo
sapiens) 		3 / 3 GLY A 198
GLU A 220
ASP A 276
 MTA  A 401 (-3.3A)
MTA  A 401 (-2.5A)
SPM  A 501 ( 3.2A)
 0.64A 2b25B-3c6mA:
11.6		 2b25B-3c6mA:
22.98
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.
2B25_B_SAMB602_1
(HYPOTHETICAL PROTEIN)		 4uoe SPERMIDINE SYNTHASE
(Plasmodium
falciparum) 		3 / 3 GLY A 124
GLU A 147
ASP A 196
 MTA  A 401 (-3.5A)
MTA  A 401 (-2.7A)
4ZY  A 501 ( 3.6A)
 0.67A 2b25B-4uoeA:
9.6		 2b25B-4uoeA:
24.04
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.
2B7Z_B_MK1B200_2
(HIV-1 PROTEASE)		 3c6m SPERMINE SYNTHASE
(Homo
sapiens) 		5 / 12 ARG A 268
ILE A 221
GLY A 198
ILE A 196
VAL A 259
 None
MTA  A 401 (-3.8A)
MTA  A 401 (-3.3A)
None
None
 1.04A 2b7zB-3c6mA:
undetectable		 2b7zB-3c6mA:
15.84
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.
2BR4_E_SAME301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)		 5co4 PUTATIVE TRNA
(CYTIDINE(34)-2'-O)-
METHYLTRANSFERASE
(Thermus
thermophilus) 		5 / 12 LEU B   6
LEU B 131
GLY B  16
ALA B  19
ALA B  23
 None
MTA  B 401 ( 4.2A)
None
None
None
 1.18A 2br4E-5co4B:
2.7		 2br4E-5co4B:
25.00
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.
2F9W_A_PAUA6002_0
(PANTOTHENATE KINASE)		 3c6m SPERMINE SYNTHASE
(Homo
sapiens) 		4 / 8 GLY A 199
ASP A 201
THR A 178
ILE A 181
 MTA  A 401 (-3.9A)
SPM  A 501 ( 3.8A)
None
None
 0.78A 2f9wA-3c6mA:
2.2
2f9wB-3c6mA:
2.2		 2f9wA-3c6mA:
24.16
2f9wB-3c6mA:
24.16
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.
2GLU_A_SAMA301_0
(YCGJ)		 3anx SPERMIDINE SYNTHASE
(Thermus
thermophilus) 		5 / 12 GLY A  85
GLY A  87
THR A  91
ASP A 108
ALA A 141
 MTA  A 315 (-3.2A)
MTA  A 315 (-4.0A)
None
MTA  A 315 (-3.3A)
MTA  A 315 (-3.5A)
 0.79A 2gluA-3anxA:
12.3		 2gluA-3anxA:
21.60
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.
2IGT_A_SAMA1001_1
(SAM DEPENDENT
METHYLTRANSFERASE)		 3anx SPERMIDINE SYNTHASE
(Thermus
thermophilus) 		3 / 3 ASP A 108
ASP A 140
ASP A 158
 MTA  A 315 (-3.3A)
MTA  A 315 (-3.9A)
MTA  A 315 (-4.9A)
 0.71A 2igtA-3anxA:
8.3		 2igtA-3anxA:
23.14
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.
2IGT_B_SAMB1002_1
(SAM DEPENDENT
METHYLTRANSFERASE)		 3anx SPERMIDINE SYNTHASE
(Thermus
thermophilus) 		3 / 3 ASP A 108
ASP A 140
ASP A 158
 MTA  A 315 (-3.3A)
MTA  A 315 (-3.9A)
MTA  A 315 (-4.9A)
 0.70A 2igtB-3anxA:
7.5		 2igtB-3anxA:
23.14
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.
2JN3_A_JN3A130_1
(FATTY ACID-BINDING
PROTEIN, LIVER)		 2yy8 UPF0106 PROTEIN
PH0461
(Pyrococcus
horikoshii) 		5 / 12 LEU A 138
ALA A  30
ILE A   2
ILE A 127
LEU A  80
 None
None
None
MTA  A 400 (-4.3A)
MTA  A 400 (-4.2A)
 1.13A 2jn3A-2yy8A:
undetectable		 2jn3A-2yy8A:
19.21
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.
2JN3_A_JN3A131_2
(FATTY ACID-BINDING
PROTEIN, LIVER)		 5xnc -
(-) 		4 / 6 LYS A 209
GLN A 124
ILE A 180
PHE A 205
 None
None
MTA  A 401 (-3.6A)
None
 1.17A 2jn3A-5xncA:
undetectable		 2jn3A-5xncA:
undetectable
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.
2NXE_B_SAMB303_0
(RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE)		 3anx SPERMIDINE SYNTHASE
(Thermus
thermophilus) 		6 / 12 GLY A  85
GLY A  87
ILE A 109
ASP A 110
LEU A 159
LEU A 172
 MTA  A 315 (-3.2A)
MTA  A 315 (-4.0A)
MTA  A 315 (-3.7A)
None
None
MTA  A 315 (-4.3A)
 0.90A 2nxeB-3anxA:
11.9		 2nxeB-3anxA:
23.62
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.
2NXE_B_SAMB303_0
(RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE)		 3c6m SPERMINE SYNTHASE
(Homo
sapiens) 		5 / 12 GLY A 198
GLY A 200
ILE A 221
ASP A 222
LEU A 277
 MTA  A 401 (-3.3A)
MTA  A 401 (-3.7A)
MTA  A 401 (-3.8A)
None
MTA  A 401 ( 4.4A)
 0.70A 2nxeB-3c6mA:
13.1		 2nxeB-3c6mA:
22.19
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.
2NYU_B_SAMB201_1
(PUTATIVE RIBOSOMAL
RNA
METHYLTRANSFERASE 2)		 3anx SPERMIDINE SYNTHASE
(Thermus
thermophilus) 		4 / 5 ALA A  90
ASP A 108
ASP A 140
ASP A 158
 None
MTA  A 315 (-3.3A)
MTA  A 315 (-3.9A)
MTA  A 315 (-4.9A)
 0.62A 2nyuB-3anxA:
10.9		 2nyuB-3anxA:
20.25
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.
2VDV_E_SAME1287_0
(TRNA
(GUANINE-N(7)-)-METH
YLTRANSFERASE)		 4uoe SPERMIDINE SYNTHASE
(Plasmodium
falciparum) 		5 / 12 GLY A 124
GLY A 126
GLU A 147
ILE A 148
ALA A 179
 MTA  A 401 (-3.5A)
MTA  A 401 ( 4.5A)
MTA  A 401 (-2.7A)
MTA  A 401 (-3.8A)
MTA  A 401 (-3.6A)
 0.55A 2vdvE-4uoeA:
8.2		 2vdvE-4uoeA:
21.18
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.
2VDV_F_SAMF1287_0
(TRNA
(GUANINE-N(7)-)-METH
YLTRANSFERASE)		 4uoe SPERMIDINE SYNTHASE
(Plasmodium
falciparum) 		5 / 11 GLY A 124
GLY A 126
GLU A 147
ILE A 148
ALA A 179
 MTA  A 401 (-3.5A)
MTA  A 401 ( 4.5A)
MTA  A 401 (-2.7A)
MTA  A 401 (-3.8A)
MTA  A 401 (-3.6A)
 0.55A 2vdvF-4uoeA:
3.1		 2vdvF-4uoeA:
21.18
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.
2W3B_B_FOLB401_1
(DIHYDROFOLATE
REDUCTASE)		 2ipx RRNA
2'-O-METHYLTRANSFERA
SE FIBRILLARIN
(Homo
sapiens) 		3 / 3 GLU A 283
GLN A 240
ARG A 219
 None
MTA  A4001 (-4.0A)
MTA  A4001 (-3.9A)
 0.61A 2w3bB-2ipxA:
undetectable		 2w3bB-2ipxA:
20.16
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.
2YQZ_A_SAMA301_0
(HYPOTHETICAL PROTEIN
TTHA0223)		 3anx SPERMIDINE SYNTHASE
(Thermus
thermophilus) 		5 / 12 GLY A  85
GLY A  87
ASP A 110
ALA A 141
LEU A 159
 MTA  A 315 (-3.2A)
MTA  A 315 (-4.0A)
None
MTA  A 315 (-3.5A)
None
 0.69A 2yqzA-3anxA:
11.0		 2yqzA-3anxA:
22.56
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.
2YQZ_A_SAMA301_0
(HYPOTHETICAL PROTEIN
TTHA0223)		 3c6m SPERMINE SYNTHASE
(Homo
sapiens) 		5 / 12 GLY A 198
GLY A 200
ILE A 204
ASP A 222
LEU A 277
 MTA  A 401 (-3.3A)
MTA  A 401 (-3.7A)
None
None
MTA  A 401 ( 4.4A)
 0.91A 2yqzA-3c6mA:
12.6		 2yqzA-3c6mA:
23.06
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.
2YQZ_B_SAMB401_0
(HYPOTHETICAL PROTEIN
TTHA0223)		 3anx SPERMIDINE SYNTHASE
(Thermus
thermophilus) 		5 / 12 GLY A  85
GLY A  87
ASP A 110
ALA A 141
LEU A 159
 MTA  A 315 (-3.2A)
MTA  A 315 (-4.0A)
None
MTA  A 315 (-3.5A)
None
 0.66A 2yqzB-3anxA:
11.1		 2yqzB-3anxA:
22.56
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.
2YQZ_B_SAMB401_0
(HYPOTHETICAL PROTEIN
TTHA0223)		 3c6m SPERMINE SYNTHASE
(Homo
sapiens) 		5 / 12 GLY A 198
GLY A 200
ILE A 204
ASP A 222
LEU A 277
 MTA  A 401 (-3.3A)
MTA  A 401 (-3.7A)
None
None
MTA  A 401 ( 4.4A)
 0.89A 2yqzB-3c6mA:
12.5		 2yqzB-3c6mA:
23.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2YY8_B_SAMB500_0
(UPF0106 PROTEIN
PH0461)		 2yy8 UPF0106 PROTEIN
PH0461
(Pyrococcus
horikoshii) 		10 / 11 LEU A  80
MET A  82
VAL A 108
GLY A 109
LYS A 112
VAL A 113
ILE A 127
HIS A 132
GLU A 134
ALA A 137
 MTA  A 400 (-4.2A)
MTA  A 400 (-4.9A)
MTA  A 400 ( 3.7A)
MTA  A 400 (-3.3A)
None
None
MTA  A 400 (-4.3A)
MTA  A 400 (-3.7A)
MTA  A 400 (-4.0A)
MTA  A 400 (-3.5A)
 0.38A 2yy8A-2yy8A:
34.4
2yy8B-2yy8A:
31.9		 2yy8A-2yy8A:
100.00
2yy8B-2yy8A:
100.00
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.
2ZBP_A_SAMA300_0
(RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE)		 3anx SPERMIDINE SYNTHASE
(Thermus
thermophilus) 		6 / 12 GLY A  85
GLY A  87
ILE A 109
ASP A 110
LEU A 159
LEU A 172
 MTA  A 315 (-3.2A)
MTA  A 315 (-4.0A)
MTA  A 315 (-3.7A)
None
None
MTA  A 315 (-4.3A)
 0.96A 2zbpA-3anxA:
11.7		 2zbpA-3anxA:
23.62
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.
2ZIF_A_SAMA298_0
(PUTATIVE
MODIFICATION
METHYLASE)		 4uoe SPERMIDINE SYNTHASE
(Plasmodium
falciparum) 		5 / 12 PRO A 203
PHE A 212
GLY A 124
GLU A 147
VAL A 152
 MTA  A 401 (-4.1A)
None
MTA  A 401 (-3.5A)
MTA  A 401 (-2.7A)
MTA  A 401 (-4.3A)
 1.18A 2zifA-4uoeA:
2.4		 2zifA-4uoeA:
22.08
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.
2ZIF_B_SAMB298_1
(PUTATIVE
MODIFICATION
METHYLASE)		 2ipx RRNA
2'-O-METHYLTRANSFERA
SE FIBRILLARIN
(Homo
sapiens) 		3 / 3 ASP A 217
THR A 174
GLU A 192
 MTA  A4001 (-3.4A)
None
MTA  A4001 (-2.7A)
 0.68A 2zifB-2ipxA:
3.4		 2zifB-2ipxA:
21.61
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.
2ZZM_A_SAMA401_0
(UNCHARACTERIZED
PROTEIN MJ0883)		 5wt3 TRNA
(GUANINE(37)-N1)-MET
HYLTRANSFERASE TRM5A
(Pyrococcus
abyssi) 		8 / 12 ARG A 133
PHE A 191
GLY A 193
PRO A 196
ILE A 214
ASN A 215
ASP A 243
VAL A 244
 G  C  37 ( 4.0A)
MTA  A 401 (-4.4A)
MTA  A 401 (-3.6A)
None
MTA  A 401 (-3.7A)
None
MTA  A 401 (-3.3A)
MTA  A 401 (-3.8A)
 0.63A 2zzmA-5wt3A:
28.0		 2zzmA-5wt3A:
undetectable
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.
2ZZN_A_SAMA401_0
(UNCHARACTERIZED
PROTEIN MJ0883)		 5wt3 TRNA
(GUANINE(37)-N1)-MET
HYLTRANSFERASE TRM5A
(Pyrococcus
abyssi) 		9 / 12 ARG A 133
ARG A 174
PHE A 191
GLY A 193
PRO A 196
ILE A 214
ASN A 215
ASP A 243
VAL A 244
 G  C  37 ( 4.0A)
None
MTA  A 401 (-4.4A)
MTA  A 401 (-3.6A)
None
MTA  A 401 (-3.7A)
None
MTA  A 401 (-3.3A)
MTA  A 401 (-3.8A)
 0.66A 2zznA-5wt3A:
28.1		 2zznA-5wt3A:
undetectable
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.
2ZZN_B_SAMB402_0
(UNCHARACTERIZED
PROTEIN MJ0883)		 5wt3 TRNA
(GUANINE(37)-N1)-MET
HYLTRANSFERASE TRM5A
(Pyrococcus
abyssi) 		8 / 12 PHE A 166
ARG A 174
PHE A 191
GLY A 193
PRO A 196
ILE A 214
ASN A 215
ASP A 243
 None
None
MTA  A 401 (-4.4A)
MTA  A 401 (-3.6A)
None
MTA  A 401 (-3.7A)
None
MTA  A 401 (-3.3A)
 0.66A 2zznB-5wt3A:
28.2		 2zznB-5wt3A:
undetectable
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.
3A27_A_SAMA250_0
(UNCHARACTERIZED
PROTEIN MJ1557)		 5wt3 TRNA
(GUANINE(37)-N1)-MET
HYLTRANSFERASE TRM5A
(Pyrococcus
abyssi) 		5 / 12 ARG A 174
PHE A 191
GLY A 193
ASN A 215
ASP A 243
 None
MTA  A 401 (-4.4A)
MTA  A 401 (-3.6A)
None
MTA  A 401 (-3.3A)
 0.81A 3a27A-5wt3A:
23.7		 3a27A-5wt3A:
undetectable
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.
3A7E_A_SAMA216_1
(CATECHOL
O-METHYLTRANSFERASE)		 3c6m SPERMINE SYNTHASE
(Homo
sapiens) 		4 / 6 GLY A 198
GLU A 220
ILE A 221
ASP A 276
 MTA  A 401 (-3.3A)
MTA  A 401 (-2.5A)
MTA  A 401 (-3.8A)
SPM  A 501 ( 3.2A)
 0.82A 3a7eA-3c6mA:
13.7		 3a7eA-3c6mA:
21.63
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.
3AY0_A_ADNA401_1
(UNCHARACTERIZED
PROTEIN MJ0883)		 5wt3 TRNA
(GUANINE(37)-N1)-MET
HYLTRANSFERASE TRM5A
(Pyrococcus
abyssi) 		6 / 10 PHE A 191
ILE A 214
ASN A 215
ALA A 218
ASP A 243
VAL A 244
 MTA  A 401 (-4.4A)
MTA  A 401 (-3.7A)
None
None
MTA  A 401 (-3.3A)
MTA  A 401 (-3.8A)
 0.65A 3ay0A-5wt3A:
25.6		 3ay0A-5wt3A:
16.01
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.
3AY0_B_ADNB402_1
(UNCHARACTERIZED
PROTEIN MJ0883)		 3anx SPERMIDINE SYNTHASE
(Thermus
thermophilus) 		5 / 10 GLY A  87
ASP A 108
ILE A 109
ASP A 140
LEU A 159
 MTA  A 315 (-4.0A)
MTA  A 315 (-3.3A)
MTA  A 315 (-3.7A)
MTA  A 315 (-3.9A)
None
 0.89A 3ay0B-3anxA:
2.3		 3ay0B-3anxA:
21.56
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.
3AY0_B_ADNB402_1
(UNCHARACTERIZED
PROTEIN MJ0883)		 5wt3 TRNA
(GUANINE(37)-N1)-MET
HYLTRANSFERASE TRM5A
(Pyrococcus
abyssi) 		6 / 10 PHE A 191
GLY A 193
ILE A 214
ASN A 215
ASP A 243
VAL A 244
 MTA  A 401 (-4.4A)
MTA  A 401 (-3.6A)
MTA  A 401 (-3.7A)
None
MTA  A 401 (-3.3A)
MTA  A 401 (-3.8A)
 0.59A 3ay0B-5wt3A:
23.4		 3ay0B-5wt3A:
16.01
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3B7P_A_SPMA501_1
(SPERMIDINE SYNTHASE)		 3anx SPERMIDINE SYNTHASE
(Thermus
thermophilus) 		5 / 12 GLN A  54
TYR A  63
HIS A  64
ASP A 158
GLN A 194
 MTA  A 315 (-2.4A)
None
None
MTA  A 315 (-4.9A)
None
 0.87A 3b7pA-3anxA:
35.6		 3b7pA-3anxA:
30.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3B7P_A_SPMA501_1
(SPERMIDINE SYNTHASE)		 3anx SPERMIDINE SYNTHASE
(Thermus
thermophilus) 		5 / 12 GLN A  54
TYR A  63
HIS A  64
ASP A 158
ILE A 227
 MTA  A 315 (-2.4A)
None
None
MTA  A 315 (-4.9A)
None
 1.33A 3b7pA-3anxA:
35.6		 3b7pA-3anxA:
30.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3B7P_A_SPMA501_1
(SPERMIDINE SYNTHASE)		 3anx SPERMIDINE SYNTHASE
(Thermus
thermophilus) 		5 / 12 TYR A  63
HIS A  64
ASP A 158
ASP A 161
GLN A 194
 None
None
MTA  A 315 (-4.9A)
None
None
 1.00A 3b7pA-3anxA:
35.6		 3b7pA-3anxA:
30.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3B7P_A_SPMA501_1
(SPERMIDINE SYNTHASE)		 4uoe SPERMIDINE SYNTHASE
(Plasmodium
falciparum) 		11 / 12 TRP A  51
GLN A  93
TYR A 102
HIS A 103
ASP A 127
ASP A 196
ASP A 199
GLN A 229
TYR A 264
PRO A 265
ILE A 269
 None
4ZY  A 501 ( 3.6A)
4ZY  A 501 (-4.3A)
None
MTA  A 401 (-4.3A)
4ZY  A 501 ( 3.6A)
4ZY  A 501 (-2.5A)
4ZY  A 501 (-4.2A)
4ZY  A 501 (-3.4A)
None
4ZY  A 501 ( 4.7A)
 0.26A 3b7pA-4uoeA:
51.1		 3b7pA-4uoeA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3B7P_A_SPMA501_1
(SPERMIDINE SYNTHASE)		 4uoe SPERMIDINE SYNTHASE
(Plasmodium
falciparum) 		5 / 12 TYR A 102
HIS A 103
ASP A 127
ASP A 196
ILE A 259
 4ZY  A 501 (-4.3A)
None
MTA  A 401 (-4.3A)
4ZY  A 501 ( 3.6A)
None
 1.46A 3b7pA-4uoeA:
51.1		 3b7pA-4uoeA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3B7P_B_SPMB502_1
(SPERMIDINE SYNTHASE)		 3anx SPERMIDINE SYNTHASE
(Thermus
thermophilus) 		5 / 12 GLN A  54
TYR A  63
HIS A  64
ASP A 158
GLN A 194
 MTA  A 315 (-2.4A)
None
None
MTA  A 315 (-4.9A)
None
 0.81A 3b7pB-3anxA:
35.1		 3b7pB-3anxA:
30.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3B7P_B_SPMB502_1
(SPERMIDINE SYNTHASE)		 3anx SPERMIDINE SYNTHASE
(Thermus
thermophilus) 		5 / 12 TYR A  63
HIS A  64
ASP A 158
ASP A 161
GLN A 194
 None
None
MTA  A 315 (-4.9A)
None
None
 0.97A 3b7pB-3anxA:
35.1		 3b7pB-3anxA:
30.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3B7P_B_SPMB502_1
(SPERMIDINE SYNTHASE)		 4uoe SPERMIDINE SYNTHASE
(Plasmodium
falciparum) 		11 / 12 TRP A  51
GLN A  93
TYR A 102
HIS A 103
ASP A 127
ASP A 196
ASP A 199
GLN A 229
TYR A 264
PRO A 265
ILE A 269
 None
4ZY  A 501 ( 3.6A)
4ZY  A 501 (-4.3A)
None
MTA  A 401 (-4.3A)
4ZY  A 501 ( 3.6A)
4ZY  A 501 (-2.5A)
4ZY  A 501 (-4.2A)
4ZY  A 501 (-3.4A)
None
4ZY  A 501 ( 4.7A)
 0.31A 3b7pB-4uoeA:
49.4		 3b7pB-4uoeA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3B7P_C_SPMC503_1
(SPERMIDINE SYNTHASE)		 4uoe SPERMIDINE SYNTHASE
(Plasmodium
falciparum) 		12 / 12 TRP A  51
GLN A  93
TYR A 102
HIS A 103
ASP A 127
ASP A 196
ASP A 199
GLU A 231
SER A 232
TYR A 264
PRO A 265
ILE A 269
 None
4ZY  A 501 ( 3.6A)
4ZY  A 501 (-4.3A)
None
MTA  A 401 (-4.3A)
4ZY  A 501 ( 3.6A)
4ZY  A 501 (-2.5A)
4ZY  A 501 ( 4.7A)
None
4ZY  A 501 (-3.4A)
None
4ZY  A 501 ( 4.7A)
 0.23A 3b7pC-4uoeA:
49.9		 3b7pC-4uoeA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3B7P_C_SPMC503_1
(SPERMIDINE SYNTHASE)		 4uoe SPERMIDINE SYNTHASE
(Plasmodium
falciparum) 		5 / 12 TYR A 102
HIS A 103
ASP A 127
ASP A 196
ILE A 259
 4ZY  A 501 (-4.3A)
None
MTA  A 401 (-4.3A)
4ZY  A 501 ( 3.6A)
None
 1.42A 3b7pC-4uoeA:
49.9		 3b7pC-4uoeA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3BWC_A_SAMA501_0
(SPERMIDINE SYNTHASE)		 3anx SPERMIDINE SYNTHASE
(Thermus
thermophilus) 		7 / 12 GLN A  33
TYR A  63
HIS A  64
GLY A  85
ILE A 109
ASP A 110
ASP A 140
 MTA  A 315 (-3.7A)
None
None
MTA  A 315 (-3.2A)
MTA  A 315 (-3.7A)
None
MTA  A 315 (-3.9A)
 0.57A 3bwcA-3anxA:
32.3		 3bwcA-3anxA:
34.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3BWC_A_SAMA501_0
(SPERMIDINE SYNTHASE)		 3anx SPERMIDINE SYNTHASE
(Thermus
thermophilus) 		5 / 12 TYR A  63
HIS A  64
GLY A  85
ILE A 109
GLN A 194
 None
None
MTA  A 315 (-3.2A)
MTA  A 315 (-3.7A)
None
 0.88A 3bwcA-3anxA:
32.3		 3bwcA-3anxA:
34.03
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.
3BWC_A_SAMA501_0
(SPERMIDINE SYNTHASE)		 3c6m SPERMINE SYNTHASE
(Homo
sapiens) 		7 / 12 GLN A 148
TYR A 177
GLY A 198
ILE A 221
ASP A 222
VAL A 225
ASP A 255
 MTA  A 401 (-3.5A)
SPM  A 501 (-4.2A)
MTA  A 401 (-3.3A)
MTA  A 401 (-3.8A)
None
MTA  A 401 (-4.2A)
MTA  A 401 (-3.6A)
 0.41A 3bwcA-3c6mA:
23.8		 3bwcA-3c6mA:
24.40
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.
3BWC_A_SAMA501_0
(SPERMIDINE SYNTHASE)		 3c6m SPERMINE SYNTHASE
(Homo
sapiens) 		5 / 12 GLN A 148
TYR A 177
GLY A 199
ASP A 222
VAL A 225
 MTA  A 401 (-3.5A)
SPM  A 501 (-4.2A)
MTA  A 401 (-3.9A)
None
MTA  A 401 (-4.2A)
 0.98A 3bwcA-3c6mA:
23.8		 3bwcA-3c6mA:
24.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3BWC_A_SAMA501_0
(SPERMIDINE SYNTHASE)		 4uoe SPERMIDINE SYNTHASE
(Plasmodium
falciparum) 		6 / 12 GLN A  72
HIS A 103
GLY A 124
ILE A 148
ASP A 178
GLN A 229
 MTA  A 401 (-3.3A)
None
MTA  A 401 (-3.5A)
MTA  A 401 (-3.8A)
MTA  A 401 (-3.2A)
4ZY  A 501 (-4.2A)
 0.83A 3bwcA-4uoeA:
38.3		 3bwcA-4uoeA:
40.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3BWC_A_SAMA501_0
(SPERMIDINE SYNTHASE)		 4uoe SPERMIDINE SYNTHASE
(Plasmodium
falciparum) 		8 / 12 GLN A  72
TYR A 102
HIS A 103
GLY A 124
ILE A 148
ASP A 149
VAL A 152
ASP A 178
 MTA  A 401 (-3.3A)
4ZY  A 501 (-4.3A)
None
MTA  A 401 (-3.5A)
MTA  A 401 (-3.8A)
None
MTA  A 401 (-4.3A)
MTA  A 401 (-3.2A)
 0.39A 3bwcA-4uoeA:
38.3		 3bwcA-4uoeA:
40.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3BWC_A_SAMA501_1
(SPERMIDINE SYNTHASE)		 3anx SPERMIDINE SYNTHASE
(Thermus
thermophilus) 		4 / 4 LEU A  49
GLN A  54
ASP A 108
ASP A 158
 MTA  A 315 ( 4.4A)
MTA  A 315 (-2.4A)
MTA  A 315 (-3.3A)
MTA  A 315 (-4.9A)
 1.02A 3bwcA-3anxA:
32.3		 3bwcA-3anxA:
34.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3BWC_B_SAMB501_0
(SPERMIDINE SYNTHASE)		 3anx SPERMIDINE SYNTHASE
(Thermus
thermophilus) 		7 / 12 LEU A  49
TYR A  63
HIS A  64
GLY A  85
ILE A 109
ASP A 110
ASP A 158
 MTA  A 315 ( 4.4A)
None
None
MTA  A 315 (-3.2A)
MTA  A 315 (-3.7A)
None
MTA  A 315 (-4.9A)
 0.50A 3bwcB-3anxA:
32.0		 3bwcB-3anxA:
34.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3BWC_B_SAMB501_0
(SPERMIDINE SYNTHASE)		 3anx SPERMIDINE SYNTHASE
(Thermus
thermophilus) 		5 / 12 LEU A  49
TYR A  63
HIS A  64
ILE A 157
ASP A 158
 MTA  A 315 ( 4.4A)
None
None
None
MTA  A 315 (-4.9A)
 0.94A 3bwcB-3anxA:
32.0		 3bwcB-3anxA:
34.03
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.
3BWC_B_SAMB501_0
(SPERMIDINE SYNTHASE)		 3c6m SPERMINE SYNTHASE
(Homo
sapiens) 		8 / 12 LEU A 164
TYR A 177
GLY A 198
ASP A 201
ILE A 221
ASP A 222
VAL A 225
ASP A 276
 None
SPM  A 501 (-4.2A)
MTA  A 401 (-3.3A)
SPM  A 501 ( 3.8A)
MTA  A 401 (-3.8A)
None
MTA  A 401 (-4.2A)
SPM  A 501 ( 3.2A)
 0.46A 3bwcB-3c6mA:
23.6		 3bwcB-3c6mA:
24.40
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.
3BWC_B_SAMB501_0
(SPERMIDINE SYNTHASE)		 3c6m SPERMINE SYNTHASE
(Homo
sapiens) 		6 / 12 LEU A 164
TYR A 177
GLY A 199
ASP A 222
VAL A 225
ASP A 276
 None
SPM  A 501 (-4.2A)
MTA  A 401 (-3.9A)
None
MTA  A 401 (-4.2A)
SPM  A 501 ( 3.2A)
 1.05A 3bwcB-3c6mA:
23.6		 3bwcB-3c6mA:
24.40
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.
3BWC_B_SAMB501_0
(SPERMIDINE SYNTHASE)		 3c6m SPERMINE SYNTHASE
(Homo
sapiens) 		6 / 12 TYR A 177
GLY A 198
ASP A 201
ILE A 282
VAL A 225
ASP A 276
 SPM  A 501 (-4.2A)
MTA  A 401 (-3.3A)
SPM  A 501 ( 3.8A)
MTA  A 401 (-3.6A)
MTA  A 401 (-4.2A)
SPM  A 501 ( 3.2A)
 1.15A 3bwcB-3c6mA:
23.6		 3bwcB-3c6mA:
24.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3BWC_B_SAMB501_0
(SPERMIDINE SYNTHASE)		 4uoe SPERMIDINE SYNTHASE
(Plasmodium
falciparum) 		6 / 12 LEU A  88
TYR A 102
GLY A 125
ASP A 149
VAL A 152
ASP A 196
 None
4ZY  A 501 (-4.3A)
MTA  A 401 (-3.8A)
None
MTA  A 401 (-4.3A)
4ZY  A 501 ( 3.6A)
 1.20A 3bwcB-4uoeA:
29.1		 3bwcB-4uoeA:
40.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3BWC_B_SAMB501_0
(SPERMIDINE SYNTHASE)		 4uoe SPERMIDINE SYNTHASE
(Plasmodium
falciparum) 		9 / 12 LEU A  88
TYR A 102
HIS A 103
GLY A 124
ASP A 127
ILE A 148
ASP A 149
VAL A 152
ASP A 196
 None
4ZY  A 501 (-4.3A)
None
MTA  A 401 (-3.5A)
MTA  A 401 (-4.3A)
MTA  A 401 (-3.8A)
None
MTA  A 401 (-4.3A)
4ZY  A 501 ( 3.6A)
 0.42A 3bwcB-4uoeA:
29.1		 3bwcB-4uoeA:
40.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3BWC_B_SAMB501_1
(SPERMIDINE SYNTHASE)		 3anx SPERMIDINE SYNTHASE
(Thermus
thermophilus) 		4 / 5 GLN A  33
GLN A  54
ASP A 108
ASP A 140
 MTA  A 315 (-3.7A)
MTA  A 315 (-2.4A)
MTA  A 315 (-3.3A)
MTA  A 315 (-3.9A)
 0.90A 3bwcB-3anxA:
32.0		 3bwcB-3anxA:
34.03
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.
3CJT_C_SAMC302_0
(RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE)		 3anx SPERMIDINE SYNTHASE
(Thermus
thermophilus) 		6 / 12 GLY A  85
ASP A 108
ILE A 109
ASP A 110
LEU A 159
LEU A 172
 MTA  A 315 (-3.2A)
MTA  A 315 (-3.3A)
MTA  A 315 (-3.7A)
None
None
MTA  A 315 (-4.3A)
 0.94A 3cjtC-3anxA:
11.7		 3cjtC-3anxA:
23.62
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.
3CJT_G_SAMG302_0
(RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE)		 3anx SPERMIDINE SYNTHASE
(Thermus
thermophilus) 		6 / 12 GLY A  85
GLY A  87
ILE A 109
ASP A 110
LEU A 159
LEU A 172
 MTA  A 315 (-3.2A)
MTA  A 315 (-4.0A)
MTA  A 315 (-3.7A)
None
None
MTA  A 315 (-4.3A)
 0.92A 3cjtG-3anxA:
11.5		 3cjtG-3anxA:
23.62
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.
3CJT_K_SAMK302_0
(RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE)		 3anx SPERMIDINE SYNTHASE
(Thermus
thermophilus) 		5 / 12 GLY A  85
ILE A 109
ASP A 110
LEU A 159
LEU A 172
 MTA  A 315 (-3.2A)
MTA  A 315 (-3.7A)
None
None
MTA  A 315 (-4.3A)
 0.87A 3cjtK-3anxA:
11.9		 3cjtK-3anxA:
23.62
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.
3CJT_O_SAMO302_0
(RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE)		 3anx SPERMIDINE SYNTHASE
(Thermus
thermophilus) 		6 / 12 GLY A  85
GLY A  87
ILE A 109
ASP A 110
LEU A 159
LEU A 172
 MTA  A 315 (-3.2A)
MTA  A 315 (-4.0A)
MTA  A 315 (-3.7A)
None
None
MTA  A 315 (-4.3A)
 0.92A 3cjtO-3anxA:
11.8		 3cjtO-3anxA:
23.62
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.
3CJT_O_SAMO302_0
(RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE)		 3c6m SPERMINE SYNTHASE
(Homo
sapiens) 		5 / 12 GLY A 198
GLY A 200
ILE A 221
ASP A 222
LEU A 277
 MTA  A 401 (-3.3A)
MTA  A 401 (-3.7A)
MTA  A 401 (-3.8A)
None
MTA  A 401 ( 4.4A)
 0.74A 3cjtO-3c6mA:
13.0		 3cjtO-3c6mA:
22.19
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.
3CKK_A_SAMA301_0
(TRNA
(GUANINE-N(7)-)-METH
YLTRANSFERASE)		 4uoe SPERMIDINE SYNTHASE
(Plasmodium
falciparum) 		5 / 12 GLY A 124
GLY A 126
GLU A 147
ILE A 148
ALA A 179
 MTA  A 401 (-3.5A)
MTA  A 401 ( 4.5A)
MTA  A 401 (-2.7A)
MTA  A 401 (-3.8A)
MTA  A 401 (-3.6A)
 0.47A 3ckkA-4uoeA:
8.5		 3ckkA-4uoeA:
20.27
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.
3DCM_X_SAMX5452_0
(UNCHARACTERIZED
PROTEIN TM_1570)		 5co4 PUTATIVE TRNA
(CYTIDINE(34)-2'-O)-
METHYLTRANSFERASE
(Thermus
thermophilus) 		6 / 11 ALA B  81
GLY B 101
GLY B 106
ILE B 120
LEU B 129
ALA B 134
 MTA  B 401 (-3.7A)
MTA  B 401 (-3.2A)
MTA  B 401 (-3.2A)
MTA  B 401 (-3.7A)
MTA  B 401 (-4.3A)
MTA  B 401 (-3.5A)
 0.53A 3dcmX-5co4B:
14.0		 3dcmX-5co4B:
24.04
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.
3DOU_A_SAMA1_1
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE J)		 3anx SPERMIDINE SYNTHASE
(Thermus
thermophilus) 		3 / 3 ASP A 108
ASP A 140
ASP A 158
 MTA  A 315 (-3.3A)
MTA  A 315 (-3.9A)
MTA  A 315 (-4.9A)
 0.76A 3douA-3anxA:
10.4		 3douA-3anxA:
21.14
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.
3DXY_A_SAMA1_0
(TRNA
(GUANINE-N(7)-)-METH
YLTRANSFERASE)		 4uoe SPERMIDINE SYNTHASE
(Plasmodium
falciparum) 		5 / 11 GLY A 124
GLY A 126
GLU A 147
ASP A 178
ALA A 179
 MTA  A 401 (-3.5A)
MTA  A 401 ( 4.5A)
MTA  A 401 (-2.7A)
MTA  A 401 (-3.2A)
MTA  A 401 (-3.6A)
 0.52A 3dxyA-4uoeA:
10.8		 3dxyA-4uoeA:
20.98
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.
3F8W_A_ADNA300_1
(PURINE-NUCLEOSIDE
PHOSPHORYLASE)		 3t94 5'-METHYLTHIOADENOSI
NE PHOSPHORYLASE
(MTAP)
(Sulfolobus
solfataricus) 		6 / 12 SER A  16
ALA A  92
GLY A  94
GLY A 189
MET A 190
VAL A 228
 SO4  A 902 ( 2.6A)
SO4  A 902 ( 3.8A)
MTA  A 901 (-3.6A)
MTA  A 901 (-3.5A)
MTA  A 901 (-3.9A)
MTA  A 901 ( 4.4A)
 0.41A 3f8wA-3t94A:
27.2		 3f8wA-3t94A:
27.92
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.
3F8W_B_ADNB301_1
(PURINE-NUCLEOSIDE
PHOSPHORYLASE)		 3t94 5'-METHYLTHIOADENOSI
NE PHOSPHORYLASE
(MTAP)
(Sulfolobus
solfataricus) 		5 / 12 SER A  16
GLY A  94
GLY A 189
MET A 190
VAL A 228
 SO4  A 902 ( 2.6A)
MTA  A 901 (-3.6A)
MTA  A 901 (-3.5A)
MTA  A 901 (-3.9A)
MTA  A 901 ( 4.4A)
 0.37A 3f8wB-3t94A:
27.2		 3f8wB-3t94A:
27.92
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.
3F8W_C_ADNC302_1
(PURINE-NUCLEOSIDE
PHOSPHORYLASE)		 3t94 5'-METHYLTHIOADENOSI
NE PHOSPHORYLASE
(MTAP)
(Sulfolobus
solfataricus) 		5 / 12 HIS A  59
ALA A  92
GLY A  94
GLY A 189
VAL A 228
 SO4  A 902 ( 3.9A)
SO4  A 902 ( 3.8A)
MTA  A 901 (-3.6A)
MTA  A 901 (-3.5A)
MTA  A 901 ( 4.4A)
 1.06A 3f8wC-3t94A:
27.3		 3f8wC-3t94A:
27.92
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.
3F8W_C_ADNC302_1
(PURINE-NUCLEOSIDE
PHOSPHORYLASE)		 3t94 5'-METHYLTHIOADENOSI
NE PHOSPHORYLASE
(MTAP)
(Sulfolobus
solfataricus) 		6 / 12 SER A  16
ALA A  92
GLY A  94
GLY A 189
MET A 190
VAL A 228
 SO4  A 902 ( 2.6A)
SO4  A 902 ( 3.8A)
MTA  A 901 (-3.6A)
MTA  A 901 (-3.5A)
MTA  A 901 (-3.9A)
MTA  A 901 ( 4.4A)
 0.37A 3f8wC-3t94A:
27.3		 3f8wC-3t94A:
27.92
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.
3FUU_A_ADNA0_1
(DIMETHYLADENOSINE
TRANSFERASE)		 3anx SPERMIDINE SYNTHASE
(Thermus
thermophilus) 		6 / 12 VAL A  84
GLY A  85
GLY A  87
ASP A 110
ASP A 140
ALA A 141
 None
MTA  A 315 (-3.2A)
MTA  A 315 (-4.0A)
None
MTA  A 315 (-3.9A)
MTA  A 315 (-3.5A)
 0.57A 3fuuA-3anxA:
10.4		 3fuuA-3anxA:
26.44
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.
3FUU_A_ADNA0_1
(DIMETHYLADENOSINE
TRANSFERASE)		 3c6m SPERMINE SYNTHASE
(Homo
sapiens) 		5 / 12 GLY A 198
GLY A 200
GLU A 220
ASP A 222
ASP A 255
 MTA  A 401 (-3.3A)
MTA  A 401 (-3.7A)
MTA  A 401 (-2.5A)
None
MTA  A 401 (-3.6A)
 0.51A 3fuuA-3c6mA:
11.8		 3fuuA-3c6mA:
22.11
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.
3FUU_A_ADNA0_1
(DIMETHYLADENOSINE
TRANSFERASE)		 4uoe SPERMIDINE SYNTHASE
(Plasmodium
falciparum) 		7 / 12 VAL A 123
GLY A 124
GLY A 126
GLU A 147
ASP A 149
ASP A 178
ALA A 179
 None
MTA  A 401 (-3.5A)
MTA  A 401 ( 4.5A)
MTA  A 401 (-2.7A)
None
MTA  A 401 (-3.2A)
MTA  A 401 (-3.6A)
 0.54A 3fuuA-4uoeA:
11.6		 3fuuA-4uoeA:
21.17
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.
3GRV_A_ADNA300_1
(DIMETHYLADENOSINE
TRANSFERASE)		 3anx SPERMIDINE SYNTHASE
(Thermus
thermophilus) 		6 / 11 GLY A  85
GLY A  87
ILE A 109
ASP A 110
ASP A 140
ALA A 141
 MTA  A 315 (-3.2A)
MTA  A 315 (-4.0A)
MTA  A 315 (-3.7A)
None
MTA  A 315 (-3.9A)
MTA  A 315 (-3.5A)
 0.86A 3grvA-3anxA:
10.8		 3grvA-3anxA:
24.11
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.
3GRV_A_ADNA300_1
(DIMETHYLADENOSINE
TRANSFERASE)		 3anx SPERMIDINE SYNTHASE
(Thermus
thermophilus) 		6 / 11 GLY A  85
ILE A 109
ASP A 110
LEU A 113
ASP A 140
ALA A 141
 MTA  A 315 (-3.2A)
MTA  A 315 (-3.7A)
None
None
MTA  A 315 (-3.9A)
MTA  A 315 (-3.5A)
 0.91A 3grvA-3anxA:
10.8		 3grvA-3anxA:
24.11
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.
3GRV_A_ADNA300_1
(DIMETHYLADENOSINE
TRANSFERASE)		 3c6m SPERMINE SYNTHASE
(Homo
sapiens) 		5 / 11 GLY A 198
GLU A 220
ILE A 221
ASP A 222
ASP A 255
 MTA  A 401 (-3.3A)
MTA  A 401 (-2.5A)
MTA  A 401 (-3.8A)
None
MTA  A 401 (-3.6A)
 0.34A 3grvA-3c6mA:
13.9		 3grvA-3c6mA:
26.58
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.
3GRV_A_ADNA300_1
(DIMETHYLADENOSINE
TRANSFERASE)		 4uoe SPERMIDINE SYNTHASE
(Plasmodium
falciparum) 		6 / 11 GLY A 124
GLU A 147
ILE A 148
ASP A 149
ASP A 178
ALA A 179
 MTA  A 401 (-3.5A)
MTA  A 401 (-2.7A)
MTA  A 401 (-3.8A)
None
MTA  A 401 (-3.2A)
MTA  A 401 (-3.6A)
 0.37A 3grvA-4uoeA:
11.8		 3grvA-4uoeA:
25.39
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.
3GRV_A_ADNA300_1
(DIMETHYLADENOSINE
TRANSFERASE)		 4uoe SPERMIDINE SYNTHASE
(Plasmodium
falciparum) 		6 / 11 GLY A 124
GLY A 126
ILE A 148
ASP A 149
ASP A 178
ALA A 179
 MTA  A 401 (-3.5A)
MTA  A 401 ( 4.5A)
MTA  A 401 (-3.8A)
None
MTA  A 401 (-3.2A)
MTA  A 401 (-3.6A)
 0.87A 3grvA-4uoeA:
11.8		 3grvA-4uoeA:
25.39
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.
3GRV_A_ADNA300_1
(DIMETHYLADENOSINE
TRANSFERASE)		 5xnc -
(-) 		5 / 11 GLY A 157
ILE A 180
ASP A 181
LEU A 184
ASP A 206
 MTA  A 401 ( 3.7A)
MTA  A 401 (-3.6A)
None
MTA  A 401 (-4.6A)
MTA  A 401 (-3.6A)
 0.47A 3grvA-5xncA:
12.5		 3grvA-5xncA:
undetectable
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.
3GRY_A_SAMA300_0
(DIMETHYLADENOSINE
TRANSFERASE)		 3anx SPERMIDINE SYNTHASE
(Thermus
thermophilus) 		7 / 12 GLY A  85
GLY A  87
ILE A 109
ASP A 110
LEU A 113
ASP A 140
ALA A 141
 MTA  A 315 (-3.2A)
MTA  A 315 (-4.0A)
MTA  A 315 (-3.7A)
None
None
MTA  A 315 (-3.9A)
MTA  A 315 (-3.5A)
 1.27A 3gryA-3anxA:
10.7		 3gryA-3anxA:
24.11
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.
3GRY_A_SAMA300_0
(DIMETHYLADENOSINE
TRANSFERASE)		 3c6m SPERMINE SYNTHASE
(Homo
sapiens) 		5 / 12 GLY A 198
GLU A 220
ILE A 221
ASP A 222
ASP A 255
 MTA  A 401 (-3.3A)
MTA  A 401 (-2.5A)
MTA  A 401 (-3.8A)
None
MTA  A 401 (-3.6A)
 0.40A 3gryA-3c6mA:
13.9		 3gryA-3c6mA:
26.58
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.
3GRY_A_SAMA300_0
(DIMETHYLADENOSINE
TRANSFERASE)		 4uoe SPERMIDINE SYNTHASE
(Plasmodium
falciparum) 		6 / 12 GLY A 124
GLU A 147
ILE A 148
ASP A 149
ASP A 178
ALA A 179
 MTA  A 401 (-3.5A)
MTA  A 401 (-2.7A)
MTA  A 401 (-3.8A)
None
MTA  A 401 (-3.2A)
MTA  A 401 (-3.6A)
 0.45A 3gryA-4uoeA:
11.9		 3gryA-4uoeA:
25.39
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.
3GRY_A_SAMA300_0
(DIMETHYLADENOSINE
TRANSFERASE)		 4uoe SPERMIDINE SYNTHASE
(Plasmodium
falciparum) 		6 / 12 GLY A 124
GLY A 126
ILE A 148
ASP A 149
ASP A 178
ALA A 179
 MTA  A 401 (-3.5A)
MTA  A 401 ( 4.5A)
MTA  A 401 (-3.8A)
None
MTA  A 401 (-3.2A)
MTA  A 401 (-3.6A)
 0.95A 3gryA-4uoeA:
11.9		 3gryA-4uoeA:
25.39
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.
3GRY_A_SAMA300_0
(DIMETHYLADENOSINE
TRANSFERASE)		 5xnc -
(-) 		5 / 12 GLY A 157
ILE A 180
ASP A 181
LEU A 184
ASP A 206
 MTA  A 401 ( 3.7A)
MTA  A 401 (-3.6A)
None
MTA  A 401 (-4.6A)
MTA  A 401 (-3.6A)
 0.49A 3gryA-5xncA:
12.5		 3gryA-5xncA:
undetectable
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.
3GYQ_A_SAMA270_0
(RRNA
(ADENOSINE-2'-O-)-ME
THYLTRANSFERASE)		 5co4 PUTATIVE TRNA
(CYTIDINE(34)-2'-O)-
METHYLTRANSFERASE
(Thermus
thermophilus) 		6 / 12 ALA B  81
GLY B 101
ILE B 120
MET B 122
SER B 128
LEU B 129
 MTA  B 401 (-3.7A)
MTA  B 401 (-3.2A)
MTA  B 401 (-3.7A)
MTA  B 401 (-3.4A)
MTA  B 401 ( 3.9A)
MTA  B 401 (-4.3A)
 0.64A 3gyqA-5co4B:
17.2
3gyqB-5co4B:
17.1		 3gyqA-5co4B:
21.22
3gyqB-5co4B:
21.22
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.
3GYQ_B_SAMB270_0
(RRNA
(ADENOSINE-2'-O-)-ME
THYLTRANSFERASE)		 5co4 PUTATIVE TRNA
(CYTIDINE(34)-2'-O)-
METHYLTRANSFERASE
(Thermus
thermophilus) 		6 / 11 ALA B  81
GLY B 101
ILE B 120
MET B 122
SER B 128
LEU B 129
 MTA  B 401 (-3.7A)
MTA  B 401 (-3.2A)
MTA  B 401 (-3.7A)
MTA  B 401 (-3.4A)
MTA  B 401 ( 3.9A)
MTA  B 401 (-4.3A)
 0.39A 3gyqB-5co4B:
17.1		 3gyqB-5co4B:
21.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ID5_B_SAMB301_0
(FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE)		 2ipx RRNA
2'-O-METHYLTRANSFERA
SE FIBRILLARIN
(Homo
sapiens) 		8 / 11 TYR A 166
GLY A 168
THR A 174
GLU A 192
ASP A 217
ALA A 218
ASP A 237
GLN A 240
 None
MTA  A4001 (-3.3A)
None
MTA  A4001 (-2.7A)
MTA  A4001 (-3.4A)
MTA  A4001 (-3.4A)
MTA  A4001 (-4.3A)
MTA  A4001 (-4.0A)
 0.70A 3id5B-2ipxA:
31.8		 3id5B-2ipxA:
44.49
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.
3ID5_B_SAMB301_0
(FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE)		 4uoe SPERMIDINE SYNTHASE
(Plasmodium
falciparum) 		5 / 11 GLY A 124
GLU A 147
ASP A 178
ALA A 179
ASP A 196
 MTA  A 401 (-3.5A)
MTA  A 401 (-2.7A)
MTA  A 401 (-3.2A)
MTA  A 401 (-3.6A)
4ZY  A 501 ( 3.6A)
 0.77A 3id5B-4uoeA:
10.4		 3id5B-4uoeA:
22.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ID5_F_SAMF301_0
(FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE)		 2ipx RRNA
2'-O-METHYLTRANSFERA
SE FIBRILLARIN
(Homo
sapiens) 		8 / 11 TYR A 166
GLY A 168
THR A 174
GLU A 192
ASP A 217
ALA A 218
ASP A 237
GLN A 240
 None
MTA  A4001 (-3.3A)
None
MTA  A4001 (-2.7A)
MTA  A4001 (-3.4A)
MTA  A4001 (-3.4A)
MTA  A4001 (-4.3A)
MTA  A4001 (-4.0A)
 0.70A 3id5F-2ipxA:
31.8		 3id5F-2ipxA:
44.49
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.
3ID5_F_SAMF301_0
(FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE)		 4uoe SPERMIDINE SYNTHASE
(Plasmodium
falciparum) 		5 / 11 GLY A 124
GLU A 147
ASP A 178
ALA A 179
ASP A 196
 MTA  A 401 (-3.5A)
MTA  A 401 (-2.7A)
MTA  A 401 (-3.2A)
MTA  A 401 (-3.6A)
4ZY  A 501 ( 3.6A)
 0.77A 3id5F-4uoeA:
6.6		 3id5F-4uoeA:
22.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ID6_C_SAMC301_0
(FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE)		 2ipx RRNA
2'-O-METHYLTRANSFERA
SE FIBRILLARIN
(Homo
sapiens) 		5 / 12 PHE A 193
SER A 194
ASP A 217
ALA A 218
GLN A 240
 MTA  A4001 (-3.5A)
None
MTA  A4001 (-3.4A)
MTA  A4001 (-3.4A)
MTA  A4001 (-4.0A)
 1.06A 3id6C-2ipxA:
26.9		 3id6C-2ipxA:
44.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ID6_C_SAMC301_0
(FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE)		 2ipx RRNA
2'-O-METHYLTRANSFERA
SE FIBRILLARIN
(Homo
sapiens) 		10 / 12 TYR A 166
GLY A 168
ALA A 170
THR A 174
GLU A 192
SER A 194
ASP A 217
ALA A 218
ASP A 237
GLN A 240
 None
MTA  A4001 (-3.3A)
MTA  A4001 (-3.6A)
None
MTA  A4001 (-2.7A)
None
MTA  A4001 (-3.4A)
MTA  A4001 (-3.4A)
MTA  A4001 (-4.3A)
MTA  A4001 (-4.0A)
 0.46A 3id6C-2ipxA:
26.9		 3id6C-2ipxA:
44.49
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.
3ID6_C_SAMC301_0
(FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE)		 4uoe SPERMIDINE SYNTHASE
(Plasmodium
falciparum) 		5 / 12 GLY A 124
GLU A 147
ASP A 178
ALA A 179
ASP A 196
 MTA  A 401 (-3.5A)
MTA  A 401 (-2.7A)
MTA  A 401 (-3.2A)
MTA  A 401 (-3.6A)
4ZY  A 501 ( 3.6A)
 0.73A 3id6C-4uoeA:
10.0		 3id6C-4uoeA:
22.77
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.
3IHT_A_SAMA200_0
(S-ADENOSYL-L-METHION
INE METHYL
TRANSFERASE)		 3anx SPERMIDINE SYNTHASE
(Thermus
thermophilus) 		5 / 12 GLY A  85
GLY A  87
GLY A  89
ASP A 140
LEU A 159
 MTA  A 315 (-3.2A)
MTA  A 315 (-4.0A)
None
MTA  A 315 (-3.9A)
None
 0.87A 3ihtA-3anxA:
10.5		 3ihtA-3anxA:
21.32
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.
3IHT_A_SAMA200_0
(S-ADENOSYL-L-METHION
INE METHYL
TRANSFERASE)		 3anx SPERMIDINE SYNTHASE
(Thermus
thermophilus) 		5 / 12 GLY A  85
GLY A  87
GLY A  89
THR A  91
LEU A 159
 MTA  A 315 (-3.2A)
MTA  A 315 (-4.0A)
None
None
None
 0.72A 3ihtA-3anxA:
10.5		 3ihtA-3anxA:
21.32
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.
3IHT_A_SAMA200_0
(S-ADENOSYL-L-METHION
INE METHYL
TRANSFERASE)		 3c6m SPERMINE SYNTHASE
(Homo
sapiens) 		5 / 12 GLY A 198
GLY A 200
GLY A 202
ASP A 255
LEU A 277
 MTA  A 401 (-3.3A)
MTA  A 401 (-3.7A)
None
MTA  A 401 (-3.6A)
MTA  A 401 ( 4.4A)
 0.61A 3ihtA-3c6mA:
11.9		 3ihtA-3c6mA:
18.37
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.
3JQA_C_DX4C270_0
(PTERIDINE REDUCTASE
1)		 5xnc -
(-) 		4 / 6 SER A 318
ASP A 160
TYR A 290
PRO A 227
 N4P  A 402 ( 4.0A)
N4P  A 402 (-2.7A)
N4P  A 402 (-4.7A)
MTA  A 401 (-3.7A)
 1.43A 3jqaC-5xncA:
5.0		 3jqaC-5xncA:
undetectable
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.
3M6V_A_SAMA465_0
(RRNA METHYLASE)		 4uoe SPERMIDINE SYNTHASE
(Plasmodium
falciparum) 		5 / 12 GLY A 128
GLY A 129
ASP A 149
ASP A 196
LEU A 207
 None
None
None
4ZY  A 501 ( 3.6A)
MTA  A 401 (-4.4A)
 0.73A 3m6vA-4uoeA:
10.0		 3m6vA-4uoeA:
17.13
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.
3M6V_B_SAMB465_0
(RRNA METHYLASE)		 4uoe SPERMIDINE SYNTHASE
(Plasmodium
falciparum) 		5 / 12 GLY A 128
GLY A 129
ASP A 149
ASP A 196
LEU A 207
 None
None
None
4ZY  A 501 ( 3.6A)
MTA  A 401 (-4.4A)
 0.72A 3m6vB-4uoeA:
10.1		 3m6vB-4uoeA:
17.13
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.
3MB5_A_SAMA301_1
(SAM-DEPENDENT
METHYLTRANSFERASE)		 2ipx RRNA
2'-O-METHYLTRANSFERA
SE FIBRILLARIN
(Homo
sapiens) 		4 / 4 GLY A 168
GLU A 192
ASP A 217
ASP A 237
 MTA  A4001 (-3.3A)
MTA  A4001 (-2.7A)
MTA  A4001 (-3.4A)
MTA  A4001 (-4.3A)
 0.38A 3mb5A-2ipxA:
17.6		 3mb5A-2ipxA:
28.73
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.
3MB5_A_SAMA301_1
(SAM-DEPENDENT
METHYLTRANSFERASE)		 3c6m SPERMINE SYNTHASE
(Homo
sapiens) 		4 / 4 GLY A 198
GLU A 220
ASP A 255
ASP A 276
 MTA  A 401 (-3.3A)
MTA  A 401 (-2.5A)
MTA  A 401 (-3.6A)
SPM  A 501 ( 3.2A)
 0.81A 3mb5A-3c6mA:
14.7		 3mb5A-3c6mA:
23.27
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.
3MB5_A_SAMA301_1
(SAM-DEPENDENT
METHYLTRANSFERASE)		 4uoe SPERMIDINE SYNTHASE
(Plasmodium
falciparum) 		4 / 4 GLY A 124
GLU A 147
ASP A 178
ASP A 196
 MTA  A 401 (-3.5A)
MTA  A 401 (-2.7A)
MTA  A 401 (-3.2A)
4ZY  A 501 ( 3.6A)
 0.76A 3mb5A-4uoeA:
12.5		 3mb5A-4uoeA:
22.92
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.
3NK7_A_SAMA770_0
(23S RRNA
METHYLTRANSFERASE)		 5co4 PUTATIVE TRNA
(CYTIDINE(34)-2'-O)-
METHYLTRANSFERASE
(Thermus
thermophilus) 		6 / 12 ASN B  14
GLY B 101
GLY B 106
ILE B 120
MET B 122
ASN B 130
 None
MTA  B 401 (-3.2A)
MTA  B 401 (-3.2A)
MTA  B 401 (-3.7A)
MTA  B 401 (-3.4A)
None
 0.49A 3nk7A-5co4B:
17.6		 3nk7A-5co4B:
25.09
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.
3NK7_A_SAMA770_0
(23S RRNA
METHYLTRANSFERASE)		 5co4 PUTATIVE TRNA
(CYTIDINE(34)-2'-O)-
METHYLTRANSFERASE
(Thermus
thermophilus) 		6 / 12 ASN B  14
GLY B 101
ILE B 120
MET B 122
SER B 128
ASN B 130
 None
MTA  B 401 (-3.2A)
MTA  B 401 (-3.7A)
MTA  B 401 (-3.4A)
MTA  B 401 ( 3.9A)
None
 0.43A 3nk7A-5co4B:
17.6		 3nk7A-5co4B:
25.09
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.
3NK7_B_SAMB770_0
(23S RRNA
METHYLTRANSFERASE)		 5co4 PUTATIVE TRNA
(CYTIDINE(34)-2'-O)-
METHYLTRANSFERASE
(Thermus
thermophilus) 		6 / 12 ASN B  14
GLY B 106
ILE B 120
MET B 122
SER B 128
LEU B 129
 None
MTA  B 401 (-3.2A)
MTA  B 401 (-3.7A)
MTA  B 401 (-3.4A)
MTA  B 401 ( 3.9A)
MTA  B 401 (-4.3A)
 1.21A 3nk7B-5co4B:
17.5		 3nk7B-5co4B:
25.09
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.
3NK7_B_SAMB770_0
(23S RRNA
METHYLTRANSFERASE)		 5co4 PUTATIVE TRNA
(CYTIDINE(34)-2'-O)-
METHYLTRANSFERASE
(Thermus
thermophilus) 		8 / 12 ASN B  14
PHE B 100
GLY B 101
GLY B 106
ILE B 120
MET B 122
SER B 128
LEU B 129
 None
MTA  B 401 (-4.9A)
MTA  B 401 (-3.2A)
MTA  B 401 (-3.2A)
MTA  B 401 (-3.7A)
MTA  B 401 (-3.4A)
MTA  B 401 ( 3.9A)
MTA  B 401 (-4.3A)
 0.62A 3nk7B-5co4B:
17.5		 3nk7B-5co4B:
25.09
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
(FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE
NOP5/NOP56 RELATED
PROTEIN)		 2ipx RRNA
2'-O-METHYLTRANSFERA
SE FIBRILLARIN
(Homo
sapiens) 		5 / 12 ALA A 169
PHE A 193
SER A 194
ASP A 217
ALA A 218
 None
MTA  A4001 (-3.5A)
None
MTA  A4001 (-3.4A)
MTA  A4001 (-3.4A)
 1.31A 3nmuA-2ipxA:
undetectable
3nmuF-2ipxA:
35.6		 3nmuA-2ipxA:
23.00
3nmuF-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.
3NMU_F_SAMF228_0
(FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE
NOP5/NOP56 RELATED
PROTEIN)		 2ipx RRNA
2'-O-METHYLTRANSFERA
SE FIBRILLARIN
(Homo
sapiens) 		7 / 12 GLY A 168
ALA A 169
GLU A 192
SER A 194
ASP A 217
ALA A 218
ASP A 237
 MTA  A4001 (-3.3A)
None
MTA  A4001 (-2.7A)
None
MTA  A4001 (-3.4A)
MTA  A4001 (-3.4A)
MTA  A4001 (-4.3A)
 1.42A 3nmuA-2ipxA:
undetectable
3nmuF-2ipxA:
35.6		 3nmuA-2ipxA:
23.00
3nmuF-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.
3NMU_F_SAMF228_0
(FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE
NOP5/NOP56 RELATED
PROTEIN)		 2ipx RRNA
2'-O-METHYLTRANSFERA
SE FIBRILLARIN
(Homo
sapiens) 		8 / 12 GLY A 168
ALA A 170
GLU A 192
SER A 194
ASP A 217
ALA A 218
ASP A 237
GLN A 240
 MTA  A4001 (-3.3A)
MTA  A4001 (-3.6A)
MTA  A4001 (-2.7A)
None
MTA  A4001 (-3.4A)
MTA  A4001 (-3.4A)
MTA  A4001 (-4.3A)
MTA  A4001 (-4.0A)
 0.54A 3nmuA-2ipxA:
undetectable
3nmuF-2ipxA:
35.6		 3nmuA-2ipxA:
23.00
3nmuF-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.
3NMU_F_SAMF228_0
(FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE
NOP5/NOP56 RELATED
PROTEIN)		 2ipx RRNA
2'-O-METHYLTRANSFERA
SE FIBRILLARIN
(Homo
sapiens) 		5 / 12 LYS A 144
ALA A 170
GLU A 192
SER A 194
GLN A 240
 None
MTA  A4001 (-3.6A)
MTA  A4001 (-2.7A)
None
MTA  A4001 (-4.0A)
 0.83A 3nmuA-2ipxA:
undetectable
3nmuF-2ipxA:
35.6		 3nmuA-2ipxA:
23.00
3nmuF-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.
3NMU_F_SAMF228_0
(FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE
NOP5/NOP56 RELATED
PROTEIN)		 2ipx RRNA
2'-O-METHYLTRANSFERA
SE FIBRILLARIN
(Homo
sapiens) 		5 / 12 PHE A 193
SER A 194
ASP A 217
ALA A 218
GLN A 240
 MTA  A4001 (-3.5A)
None
MTA  A4001 (-3.4A)
MTA  A4001 (-3.4A)
MTA  A4001 (-4.0A)
 1.08A 3nmuA-2ipxA:
undetectable
3nmuF-2ipxA:
35.6		 3nmuA-2ipxA:
23.00
3nmuF-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.
3NMU_F_SAMF228_0
(FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE
NOP5/NOP56 RELATED
PROTEIN)		 4uoe SPERMIDINE SYNTHASE
(Plasmodium
falciparum) 		5 / 12 GLY A 124
GLU A 147
ASP A 178
ALA A 179
ASP A 196
 MTA  A 401 (-3.5A)
MTA  A 401 (-2.7A)
MTA  A 401 (-3.2A)
MTA  A 401 (-3.6A)
4ZY  A 501 ( 3.6A)
 0.75A 3nmuA-4uoeA:
undetectable
3nmuF-4uoeA:
9.6		 3nmuA-4uoeA:
21.57
3nmuF-4uoeA:
25.17
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.
3NMU_J_SAMJ228_0
(FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE
NOP5/NOP56 RELATED
PROTEIN)		 2ipx RRNA
2'-O-METHYLTRANSFERA
SE FIBRILLARIN
(Homo
sapiens) 		6 / 11 GLY A 168
ALA A 170
GLU A 192
ALA A 218
ASP A 237
GLN A 240
 MTA  A4001 (-3.3A)
MTA  A4001 (-3.6A)
MTA  A4001 (-2.7A)
MTA  A4001 (-3.4A)
MTA  A4001 (-4.3A)
MTA  A4001 (-4.0A)
 0.48A 3nmuB-2ipxA:
undetectable
3nmuJ-2ipxA:
35.4		 3nmuB-2ipxA:
23.00
3nmuJ-2ipxA:
49.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NVK_I_SAMI228_0
(FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE)		 2ipx RRNA
2'-O-METHYLTRANSFERA
SE FIBRILLARIN
(Homo
sapiens) 		7 / 12 GLY A 168
ALA A 170
ALA A 218
ASP A 237
VAL A 238
GLN A 240
GLU A 304
 MTA  A4001 (-3.3A)
MTA  A4001 (-3.6A)
MTA  A4001 (-3.4A)
MTA  A4001 (-4.3A)
MTA  A4001 (-4.1A)
MTA  A4001 (-4.0A)
None
 0.68A 3nvkI-2ipxA:
30.9		 3nvkI-2ipxA:
49.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NVK_I_SAMI228_0
(FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE)		 2ipx RRNA
2'-O-METHYLTRANSFERA
SE FIBRILLARIN
(Homo
sapiens) 		7 / 12 GLY A 168
ALA A 170
ASP A 217
ALA A 218
ASP A 237
VAL A 238
GLU A 304
 MTA  A4001 (-3.3A)
MTA  A4001 (-3.6A)
MTA  A4001 (-3.4A)
MTA  A4001 (-3.4A)
MTA  A4001 (-4.3A)
MTA  A4001 (-4.1A)
None
 0.59A 3nvkI-2ipxA:
30.9		 3nvkI-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.
3NVK_J_SAMJ228_0
(FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE
NOP5/NOP56 RELATED
PROTEIN)		 2ipx RRNA
2'-O-METHYLTRANSFERA
SE FIBRILLARIN
(Homo
sapiens) 		6 / 12 ALA A 170
GLU A 192
PHE A 193
ASP A 217
ALA A 218
GLN A 240
 MTA  A4001 (-3.6A)
MTA  A4001 (-2.7A)
MTA  A4001 (-3.5A)
MTA  A4001 (-3.4A)
MTA  A4001 (-3.4A)
MTA  A4001 (-4.0A)
 1.00A 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.
3NVK_J_SAMJ228_0
(FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE
NOP5/NOP56 RELATED
PROTEIN)		 2ipx RRNA
2'-O-METHYLTRANSFERA
SE FIBRILLARIN
(Homo
sapiens) 		8 / 12 LYS A 144
GLY A 168
ALA A 169
GLU A 192
ASP A 217
ASP A 237
VAL A 238
GLN A 240
 None
MTA  A4001 (-3.3A)
None
MTA  A4001 (-2.7A)
MTA  A4001 (-3.4A)
MTA  A4001 (-4.3A)
MTA  A4001 (-4.1A)
MTA  A4001 (-4.0A)
 1.48A 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.
3NVK_J_SAMJ228_0
(FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE
NOP5/NOP56 RELATED
PROTEIN)		 2ipx RRNA
2'-O-METHYLTRANSFERA
SE FIBRILLARIN
(Homo
sapiens) 		9 / 12 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.
3NVK_J_SAMJ228_0
(FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE
NOP5/NOP56 RELATED
PROTEIN)		 4uoe SPERMIDINE SYNTHASE
(Plasmodium
falciparum) 		5 / 12 GLY A 124
GLU A 147
ASP A 178
ALA A 179
ASP A 196
 MTA  A 401 (-3.5A)
MTA  A 401 (-2.7A)
MTA  A 401 (-3.2A)
MTA  A 401 (-3.6A)
4ZY  A 501 ( 3.6A)
 0.81A 3nvkF-4uoeA:
undetectable
3nvkJ-4uoeA:
11.9		 3nvkF-4uoeA:
22.06
3nvkJ-4uoeA:
25.17
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.
3TEG_A_DAHA416_1
(PHENYLALANYL-TRNA
SYNTHETASE,
MITOCHONDRIAL)		 3anx SPERMIDINE SYNTHASE
(Thermus
thermophilus) 		5 / 12 GLN A  54
GLU A  88
THR A 160
GLY A  85
GLY A  87
 MTA  A 315 (-2.4A)
None
MTA  A 315 (-3.6A)
MTA  A 315 (-3.2A)
MTA  A 315 (-4.0A)
 1.12A 3tegA-3anxA:
undetectable		 3tegA-3anxA:
20.61
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.
3TM4_A_SAMA401_1
(TRNA (GUANINE
N2-)-METHYLTRANSFERA
SE TRM14)		 2ipx RRNA
2'-O-METHYLTRANSFERA
SE FIBRILLARIN
(Homo
sapiens) 		4 / 5 SER A 171
THR A 173
GLU A 192
ASP A 217
 None
None
MTA  A4001 (-2.7A)
MTA  A4001 (-3.4A)
 1.15A 3tm4A-2ipxA:
14.6		 3tm4A-2ipxA:
22.13
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.
3TM4_B_SAMB401_1
(TRNA (GUANINE
N2-)-METHYLTRANSFERA
SE TRM14)		 2ipx RRNA
2'-O-METHYLTRANSFERA
SE FIBRILLARIN
(Homo
sapiens) 		4 / 5 SER A 171
THR A 173
GLU A 192
ASP A 217
 None
None
MTA  A4001 (-2.7A)
MTA  A4001 (-3.4A)
 1.15A 3tm4B-2ipxA:
14.5		 3tm4B-2ipxA:
22.13
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.
3TQB_A_FOLA2001_0
(DIHYDROFOLATE
REDUCTASE)		 3t94 5'-METHYLTHIOADENOSI
NE PHOSPHORYLASE
(MTAP)
(Sulfolobus
solfataricus) 		5 / 11 ALA A  92
ILE A  12
LEU A 243
ILE A 209
THR A 213
 SO4  A 902 ( 3.8A)
None
None
None
MTA  A 901 ( 4.7A)
 0.99A 3tqbA-3t94A:
undetectable		 3tqbA-3t94A:
21.74
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.
3VYW_A_SAMA501_1
(MNMC2)		 4uoe SPERMIDINE SYNTHASE
(Plasmodium
falciparum) 		4 / 6 HIS A 103
GLU A 147
ASP A 178
ASP A 196
 None
MTA  A 401 (-2.7A)
MTA  A 401 (-3.2A)
4ZY  A 501 ( 3.6A)
 1.28A 3vywA-4uoeA:
15.6		 3vywA-4uoeA:
22.05
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.
3VYW_B_SAMB401_0
(MNMC2)		 4uoe SPERMIDINE SYNTHASE
(Plasmodium
falciparum) 		5 / 12 HIS A 103
GLY A 124
GLY A 126
ALA A 179
LEU A 207
 None
MTA  A 401 (-3.5A)
MTA  A 401 ( 4.5A)
MTA  A 401 (-3.6A)
MTA  A 401 (-4.4A)
 1.24A 3vywB-4uoeA:
14.9		 3vywB-4uoeA:
22.05
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.
3VYW_C_SAMC401_1
(MNMC2)		 3c6m SPERMINE SYNTHASE
(Homo
sapiens) 		4 / 6 GLY A 200
GLU A 220
ASP A 255
ASP A 276
 MTA  A 401 (-3.7A)
MTA  A 401 (-2.5A)
MTA  A 401 (-3.6A)
SPM  A 501 ( 3.2A)
 0.69A 3vywC-3c6mA:
14.7		 3vywC-3c6mA:
21.05
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.
3VYW_C_SAMC401_1
(MNMC2)		 4uoe SPERMIDINE SYNTHASE
(Plasmodium
falciparum) 		4 / 6 GLY A 126
GLU A 147
ASP A 178
ASP A 196
 MTA  A 401 ( 4.5A)
MTA  A 401 (-2.7A)
MTA  A 401 (-3.2A)
4ZY  A 501 ( 3.6A)
 0.76A 3vywC-4uoeA:
15.6		 3vywC-4uoeA:
22.05
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.
4AF0_A_MOAA1526_1
(INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE)		 4uoe SPERMIDINE SYNTHASE
(Plasmodium
falciparum) 		4 / 8 ASP A 196
SER A 197
SER A 198
GLN A  72
 4ZY  A 501 ( 3.6A)
None
MTA  A 401 (-3.3A)
MTA  A 401 (-3.3A)
 0.80A 4af0A-4uoeA:
undetectable		 4af0A-4uoeA:
19.75
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.
4AZT_A_SAMA1472_0
(METHYLTRANSFERASE
WBDD)		 2ipx RRNA
2'-O-METHYLTRANSFERA
SE FIBRILLARIN
(Homo
sapiens) 		5 / 12 GLY A 168
ALA A 170
PHE A 193
VAL A 238
ILE A 246
 MTA  A4001 (-3.3A)
MTA  A4001 (-3.6A)
MTA  A4001 (-3.5A)
MTA  A4001 (-4.1A)
None
 1.07A 4aztA-2ipxA:
10.2		 4aztA-2ipxA:
18.87
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.
4BLV_A_SAMA1281_1
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE J)		 4uoe SPERMIDINE SYNTHASE
(Plasmodium
falciparum) 		4 / 6 HIS A 103
GLU A 147
ASP A 178
ASP A 196
 None
MTA  A 401 (-2.7A)
MTA  A 401 (-3.2A)
4ZY  A 501 ( 3.6A)
 1.41A 4blvA-4uoeA:
11.2		 4blvA-4uoeA:
20.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DF3_A_SAMA301_0
(FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE)		 2ipx RRNA
2'-O-METHYLTRANSFERA
SE FIBRILLARIN
(Homo
sapiens) 		5 / 12 ALA A 170
THR A 174
PHE A 193
ASP A 217
GLN A 240
 MTA  A4001 (-3.6A)
None
MTA  A4001 (-3.5A)
MTA  A4001 (-3.4A)
MTA  A4001 (-4.0A)
 1.30A 4df3A-2ipxA:
28.1		 4df3A-2ipxA:
45.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DF3_A_SAMA301_0
(FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE)		 2ipx RRNA
2'-O-METHYLTRANSFERA
SE FIBRILLARIN
(Homo
sapiens) 		9 / 12 GLY A 168
ALA A 170
THR A 173
PHE A 193
ASP A 217
ALA A 218
ASP A 237
VAL A 238
GLN A 240
 MTA  A4001 (-3.3A)
MTA  A4001 (-3.6A)
None
MTA  A4001 (-3.5A)
MTA  A4001 (-3.4A)
MTA  A4001 (-3.4A)
MTA  A4001 (-4.3A)
MTA  A4001 (-4.1A)
MTA  A4001 (-4.0A)
 0.48A 4df3A-2ipxA:
28.1		 4df3A-2ipxA:
45.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DF3_A_SAMA301_1
(FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE)		 2ipx RRNA
2'-O-METHYLTRANSFERA
SE FIBRILLARIN
(Homo
sapiens) 		3 / 3 TYR A 166
THR A 174
GLU A 192
 None
None
MTA  A4001 (-2.7A)
 0.37A 4df3A-2ipxA:
28.1		 4df3A-2ipxA:
45.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DF3_B_SAMB301_0
(FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE)		 2ipx RRNA
2'-O-METHYLTRANSFERA
SE FIBRILLARIN
(Homo
sapiens) 		5 / 12 ALA A 170
THR A 174
PHE A 193
ASP A 217
GLN A 240
 MTA  A4001 (-3.6A)
None
MTA  A4001 (-3.5A)
MTA  A4001 (-3.4A)
MTA  A4001 (-4.0A)
 1.27A 4df3B-2ipxA:
28.1		 4df3B-2ipxA:
45.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DF3_B_SAMB301_0
(FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE)		 2ipx RRNA
2'-O-METHYLTRANSFERA
SE FIBRILLARIN
(Homo
sapiens) 		9 / 12 GLY A 168
ALA A 170
THR A 173
PHE A 193
ASP A 217
ALA A 218
ASP A 237
VAL A 238
GLN A 240
 MTA  A4001 (-3.3A)
MTA  A4001 (-3.6A)
None
MTA  A4001 (-3.5A)
MTA  A4001 (-3.4A)
MTA  A4001 (-3.4A)
MTA  A4001 (-4.3A)
MTA  A4001 (-4.1A)
MTA  A4001 (-4.0A)
 0.52A 4df3B-2ipxA:
28.1		 4df3B-2ipxA:
45.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DF3_B_SAMB301_1
(FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE)		 2ipx RRNA
2'-O-METHYLTRANSFERA
SE FIBRILLARIN
(Homo
sapiens) 		3 / 3 TYR A 166
THR A 174
GLU A 192
 None
None
MTA  A4001 (-2.7A)
 0.33A 4df3B-2ipxA:
28.1		 4df3B-2ipxA:
45.57
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.
4DMG_A_SAMA401_0
(PUTATIVE
UNCHARACTERIZED
PROTEIN TTHA1493)		 3anx SPERMIDINE SYNTHASE
(Thermus
thermophilus) 		5 / 12 GLN A  33
ASP A 108
ASP A 110
ALA A 141
ASP A 158
 MTA  A 315 (-3.7A)
MTA  A 315 (-3.3A)
None
MTA  A 315 (-3.5A)
MTA  A 315 (-4.9A)
 1.06A 4dmgA-3anxA:
11.1		 4dmgA-3anxA:
21.55
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.
4GC9_A_SAMA401_1
(DIMETHYLADENOSINE
TRANSFERASE 1,
MITOCHONDRIAL)		 3c6m SPERMINE SYNTHASE
(Homo
sapiens) 		3 / 3 GLU A 220
ASP A 222
ASP A 255
 MTA  A 401 (-2.5A)
None
MTA  A 401 (-3.6A)
 0.36A 4gc9A-3c6mA:
8.7		 4gc9A-3c6mA:
21.00
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.
4GC9_A_SAMA401_1
(DIMETHYLADENOSINE
TRANSFERASE 1,
MITOCHONDRIAL)		 4uoe SPERMIDINE SYNTHASE
(Plasmodium
falciparum) 		3 / 3 GLU A 147
ASP A 149
ASP A 178
 MTA  A 401 (-2.7A)
None
MTA  A 401 (-3.2A)
 0.34A 4gc9A-4uoeA:
9.9		 4gc9A-4uoeA:
21.08
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.
4IV8_A_SAMA301_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE)		 3anx SPERMIDINE SYNTHASE
(Thermus
thermophilus) 		6 / 12 GLY A  85
GLY A  87
ASP A 108
ILE A 109
ASP A 140
LEU A 172
 MTA  A 315 (-3.2A)
MTA  A 315 (-4.0A)
MTA  A 315 (-3.3A)
MTA  A 315 (-3.7A)
MTA  A 315 (-3.9A)
MTA  A 315 (-4.3A)
 0.77A 4iv8A-3anxA:
11.5		 4iv8A-3anxA:
22.55
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.
4IV8_B_SAMB301_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE)		 3anx SPERMIDINE SYNTHASE
(Thermus
thermophilus) 		6 / 12 GLY A  85
GLY A  87
ASP A 108
ILE A 109
ASP A 140
LEU A 172
 MTA  A 315 (-3.2A)
MTA  A 315 (-4.0A)
MTA  A 315 (-3.3A)
MTA  A 315 (-3.7A)
MTA  A 315 (-3.9A)
MTA  A 315 (-4.3A)
 0.78A 4iv8B-3anxA:
11.8		 4iv8B-3anxA:
22.55
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.
4L6V_A_PQNA2001_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
FUSION PROTEIN OF
PHOTOSYSTEM I
SUBUNIT III AND
SUBUNIT IX)		 3t94 5'-METHYLTHIOADENOSI
NE PHOSPHORYLASE
(MTAP)
(Sulfolobus
solfataricus) 		5 / 9 SER A 171
TRP A 179
ALA A 185
GLY A  94
ALA A 199
 None
None
None
MTA  A 901 (-3.6A)
None
 1.42A 4l6va-3t94A:
undetectable
4l6vf-3t94A:
undetectable		 4l6va-3t94A:
17.47
4l6vf-3t94A:
17.65
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.
4M93_B_ACTB303_0
(S25-26 FAB (IGG1K)
HEAVY CHAIN
S25-26 FAB (IGG1K)
LIGHT CHAIN)		 2ipx RRNA
2'-O-METHYLTRANSFERA
SE FIBRILLARIN
(Homo
sapiens) 		4 / 5 GLY A 172
SER A 171
ALA A 170
GLU A 192
 None
None
MTA  A4001 (-3.6A)
MTA  A4001 (-2.7A)
 1.00A 4m93B-2ipxA:
undetectable
4m93C-2ipxA:
undetectable		 4m93B-2ipxA:
19.07
4m93C-2ipxA:
21.77
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.
4PGH_A_SAMA401_0
(CAFFEIC ACID
O-METHYLTRANSFERASE)		 3anx SPERMIDINE SYNTHASE
(Thermus
thermophilus) 		5 / 11 SER A  55
GLY A  85
GLY A  86
ASP A 108
ASP A 140
 None
MTA  A 315 (-3.2A)
MTA  A 315 (-4.2A)
MTA  A 315 (-3.3A)
MTA  A 315 (-3.9A)
 1.05A 4pghA-3anxA:
10.9		 4pghA-3anxA:
21.89
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.
4PGH_A_SAMA401_0
(CAFFEIC ACID
O-METHYLTRANSFERASE)		 3c6m SPERMINE SYNTHASE
(Homo
sapiens) 		5 / 11 GLY A 199
GLY A 200
ASP A 201
LEU A 170
ILE A 196
 MTA  A 401 (-3.9A)
MTA  A 401 (-3.7A)
SPM  A 501 ( 3.8A)
SPM  A 501 ( 4.3A)
None
 1.13A 4pghA-3c6mA:
12.0		 4pghA-3c6mA:
22.28
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.
4PGH_B_SAMB401_0
(CAFFEIC ACID
O-METHYLTRANSFERASE)		 3anx SPERMIDINE SYNTHASE
(Thermus
thermophilus) 		5 / 12 SER A  55
ASP A 158
GLY A  85
ASP A 108
ASP A 140
 None
MTA  A 315 (-4.9A)
MTA  A 315 (-3.2A)
MTA  A 315 (-3.3A)
MTA  A 315 (-3.9A)
 1.39A 4pghB-3anxA:
10.6		 4pghB-3anxA:
21.89
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.
4PGH_D_SAMD401_0
(CAFFEIC ACID
O-METHYLTRANSFERASE)		 3anx SPERMIDINE SYNTHASE
(Thermus
thermophilus) 		5 / 12 SER A  55
GLY A  85
GLY A  86
ASP A 108
ASP A 140
 None
MTA  A 315 (-3.2A)
MTA  A 315 (-4.2A)
MTA  A 315 (-3.3A)
MTA  A 315 (-3.9A)
 1.15A 4pghD-3anxA:
3.9		 4pghD-3anxA:
21.89
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.
4PGH_D_SAMD401_0
(CAFFEIC ACID
O-METHYLTRANSFERASE)		 3c6m SPERMINE SYNTHASE
(Homo
sapiens) 		5 / 12 GLY A 199
GLY A 200
ASP A 201
LEU A 170
ILE A 196
 MTA  A 401 (-3.9A)
MTA  A 401 (-3.7A)
SPM  A 501 ( 3.8A)
SPM  A 501 ( 4.3A)
None
 1.08A 4pghD-3c6mA:
12.1		 4pghD-3c6mA:
22.28
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.
4QA0_B_SHHB404_2
(HISTONE DEACETYLASE
8)		 4uoe SPERMIDINE SYNTHASE
(Plasmodium
falciparum) 		5 / 11 TYR A 137
ASP A 127
HIS A 103
ASP A 196
GLY A 125
 None
MTA  A 401 (-4.3A)
None
4ZY  A 501 ( 3.6A)
MTA  A 401 (-3.8A)
 1.45A 4qa0B-4uoeA:
5.1		 4qa0B-4uoeA:
21.28
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.
4RTM_A_SAMA301_0
(DNA ADENINE
METHYLASE)		 5wt3 TRNA
(GUANINE(37)-N1)-MET
HYLTRANSFERASE TRM5A
(Pyrococcus
abyssi) 		5 / 12 PHE A 191
GLY A 193
ILE A 214
ASN A 215
PRO A 262
 MTA  A 401 (-4.4A)
MTA  A 401 (-3.6A)
MTA  A 401 (-3.7A)
None
G  C  37 ( 4.1A)
 0.83A 4rtmA-5wt3A:
0.0		 4rtmA-5wt3A:
undetectable
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.
4RTP_A_SAMA301_0
(DNA ADENINE
METHYLASE)		 5wt3 TRNA
(GUANINE(37)-N1)-MET
HYLTRANSFERASE TRM5A
(Pyrococcus
abyssi) 		5 / 12 PHE A 191
GLY A 193
ILE A 214
ASN A 215
PRO A 262
 MTA  A 401 (-4.4A)
MTA  A 401 (-3.6A)
MTA  A 401 (-3.7A)
None
G  C  37 ( 4.1A)
 0.79A 4rtpA-5wt3A:
11.2		 4rtpA-5wt3A:
undetectable
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.
4RTS_A_SAMA301_0
(DNA ADENINE
METHYLASE)		 5wt3 TRNA
(GUANINE(37)-N1)-MET
HYLTRANSFERASE TRM5A
(Pyrococcus
abyssi) 		5 / 12 PHE A 191
GLY A 193
ILE A 214
ASN A 215
PRO A 262
 MTA  A 401 (-4.4A)
MTA  A 401 (-3.6A)
MTA  A 401 (-3.7A)
None
G  C  37 ( 4.1A)
 0.82A 4rtsA-5wt3A:
10.6		 4rtsA-5wt3A:
undetectable
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.
4X3M_A_ADNA301_1
(RNA 2'-O RIBOSE
METHYLTRANSFERASE)		 5co4 PUTATIVE TRNA
(CYTIDINE(34)-2'-O)-
METHYLTRANSFERASE
(Thermus
thermophilus) 		5 / 9 GLY B 101
GLU B 103
ILE B 120
MET B 122
SER B 128
 MTA  B 401 (-3.2A)
MTA  B 401 (-4.3A)
MTA  B 401 (-3.7A)
MTA  B 401 (-3.4A)
MTA  B 401 ( 3.9A)
 0.62A 4x3mA-5co4B:
19.1		 4x3mA-5co4B:
26.34
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.
4X3M_B_ADNB301_1
(RNA 2'-O RIBOSE
METHYLTRANSFERASE)		 5co4 PUTATIVE TRNA
(CYTIDINE(34)-2'-O)-
METHYLTRANSFERASE
(Thermus
thermophilus) 		5 / 9 GLY B 101
ILE B 120
MET B 122
SER B 128
LEU B 129
 MTA  B 401 (-3.2A)
MTA  B 401 (-3.7A)
MTA  B 401 (-3.4A)
MTA  B 401 ( 3.9A)
MTA  B 401 (-4.3A)
 0.55A 4x3mB-5co4B:
18.0		 4x3mB-5co4B:
26.34
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.
4XUE_A_SAMA303_1
(CATECHOL
O-METHYLTRANSFERASE)		 4uoe SPERMIDINE SYNTHASE
(Plasmodium
falciparum) 		4 / 5 GLY A 202
SER A 198
GLU A 205
ASP A  89
 None
MTA  A 401 (-3.3A)
None
None
 1.36A 4xueA-4uoeA:
12.9		 4xueA-4uoeA:
23.08
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.
5C0O_F_SAMF301_0
(TRNA
(ADENINE(58)-N(1))-M
ETHYLTRANSFERASE
TRMI)		 3c6m SPERMINE SYNTHASE
(Homo
sapiens) 		5 / 12 GLY A 198
GLY A 200
GLY A 202
LEU A 205
LEU A 195
 MTA  A 401 (-3.3A)
MTA  A 401 (-3.7A)
None
None
None
 0.95A 5c0oF-3c6mA:
12.3		 5c0oF-3c6mA:
undetectable
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.
5DLV_A_5D5A930_0
(ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 2)		 5w8d AUTOINDUCER SYNTHASE
(Bradyrhizobium
japonicum) 		5 / 12 PHE A  83
LEU A  86
PRO A  93
ILE A  98
TRP A 143
 MTA  A 301 (-4.6A)
None
None
None
GOL  A 302 (-3.5A)
 1.36A 5dlvA-5w8dA:
undetectable		 5dlvA-5w8dA:
13.00
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.
5DLV_B_5D5B927_0
(ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 2)		 5w8d AUTOINDUCER SYNTHASE
(Bradyrhizobium
japonicum) 		5 / 12 PHE A  83
LEU A  86
PRO A  93
ILE A  98
TRP A 143
 MTA  A 301 (-4.6A)
None
None
None
GOL  A 302 (-3.5A)
 1.37A 5dlvB-5w8dA:
undetectable		 5dlvB-5w8dA:
13.00
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.
5EML_A_SAMA701_1
(PROTEIN ARGININE
N-METHYLTRANSFERASE
5)		 3c6m SPERMINE SYNTHASE
(Homo
sapiens) 		4 / 6 TYR A 177
GLY A 198
GLU A 220
ASP A 255
 SPM  A 501 (-4.2A)
MTA  A 401 (-3.3A)
MTA  A 401 (-2.5A)
MTA  A 401 (-3.6A)
 1.30A 5emlA-3c6mA:
3.4		 5emlA-3c6mA:
20.58
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.
5ERG_B_SAMB401_1
(TRNA
(ADENINE(58)-N(1))-M
ETHYLTRANSFERASE
CATALYTIC SUBUNIT
TRM61)		 2ipx RRNA
2'-O-METHYLTRANSFERA
SE FIBRILLARIN
(Homo
sapiens) 		4 / 7 GLY A 168
GLU A 192
ASP A 217
ASP A 237
 MTA  A4001 (-3.3A)
MTA  A4001 (-2.7A)
MTA  A4001 (-3.4A)
MTA  A4001 (-4.3A)
 0.58A 5ergB-2ipxA:
15.4		 5ergB-2ipxA:
20.64
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.
5ERG_B_SAMB401_1
(TRNA
(ADENINE(58)-N(1))-M
ETHYLTRANSFERASE
CATALYTIC SUBUNIT
TRM61)		 4uoe SPERMIDINE SYNTHASE
(Plasmodium
falciparum) 		4 / 7 GLY A 124
GLY A 126
ASP A 178
ASP A 196
 MTA  A 401 (-3.5A)
MTA  A 401 ( 4.5A)
MTA  A 401 (-3.2A)
4ZY  A 501 ( 3.6A)
 0.77A 5ergB-4uoeA:
9.6		 5ergB-4uoeA:
22.31
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.
5ESG_A_1YNA701_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 5co4 PUTATIVE TRNA
(CYTIDINE(34)-2'-O)-
METHYLTRANSFERASE
(Thermus
thermophilus) 		5 / 12 ILE B 120
GLY B 136
THR B  21
LEU B   4
HIS B   3
 MTA  B 401 (-3.7A)
None
None
None
None
 1.28A 5esgA-5co4B:
undetectable		 5esgA-5co4B:
15.01
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.
5HFJ_A_SAMA301_0
(ADENINE SPECIFIC DNA
METHYLTRANSFERASE
(DPNA))		 2ipx RRNA
2'-O-METHYLTRANSFERA
SE FIBRILLARIN
(Homo
sapiens) 		5 / 12 ASP A 217
ALA A 218
ASP A 237
THR A 174
GLU A 192
 MTA  A4001 (-3.4A)
MTA  A4001 (-3.4A)
MTA  A4001 (-4.3A)
None
MTA  A4001 (-2.7A)
 0.92A 5hfjA-2ipxA:
3.7		 5hfjA-2ipxA:
21.54
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.
5HFJ_A_SAMA301_0
(ADENINE SPECIFIC DNA
METHYLTRANSFERASE
(DPNA))		 5wt3 TRNA
(GUANINE(37)-N1)-MET
HYLTRANSFERASE TRM5A
(Pyrococcus
abyssi) 		5 / 12 ASP A 243
PRO A 262
PHE A 191
GLY A 193
GLU A 213
 MTA  A 401 (-3.3A)
G  C  37 ( 4.1A)
MTA  A 401 (-4.4A)
MTA  A 401 (-3.6A)
MTA  A 401 (-3.5A)
 0.63A 5hfjA-5wt3A:
2.9		 5hfjA-5wt3A:
undetectable
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.
5HFJ_D_SAMD301_0
(ADENINE SPECIFIC DNA
METHYLTRANSFERASE
(DPNA))		 2ipx RRNA
2'-O-METHYLTRANSFERA
SE FIBRILLARIN
(Homo
sapiens) 		5 / 12 ASP A 217
ALA A 218
ASP A 237
THR A 173
GLU A 192
 MTA  A4001 (-3.4A)
MTA  A4001 (-3.4A)
MTA  A4001 (-4.3A)
None
MTA  A4001 (-2.7A)
 1.10A 5hfjD-2ipxA:
3.9		 5hfjD-2ipxA:
21.54
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.
5HFJ_D_SAMD301_0
(ADENINE SPECIFIC DNA
METHYLTRANSFERASE
(DPNA))		 5wt3 TRNA
(GUANINE(37)-N1)-MET
HYLTRANSFERASE TRM5A
(Pyrococcus
abyssi) 		5 / 12 ASP A 243
PRO A 262
PHE A 191
GLY A 193
GLU A 213
 MTA  A 401 (-3.3A)
G  C  37 ( 4.1A)
MTA  A 401 (-4.4A)
MTA  A 401 (-3.6A)
MTA  A 401 (-3.5A)
 0.65A 5hfjD-5wt3A:
2.6		 5hfjD-5wt3A:
undetectable
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.
5HFJ_E_SAME301_0
(ADENINE SPECIFIC DNA
METHYLTRANSFERASE
(DPNA))		 2ipx RRNA
2'-O-METHYLTRANSFERA
SE FIBRILLARIN
(Homo
sapiens) 		5 / 12 ASP A 217
ALA A 218
ASP A 237
THR A 173
GLU A 192
 MTA  A4001 (-3.4A)
MTA  A4001 (-3.4A)
MTA  A4001 (-4.3A)
None
MTA  A4001 (-2.7A)
 1.18A 5hfjE-2ipxA:
3.7		 5hfjE-2ipxA:
21.54
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.
5HFJ_F_SAMF301_0
(ADENINE SPECIFIC DNA
METHYLTRANSFERASE
(DPNA))		 5wt3 TRNA
(GUANINE(37)-N1)-MET
HYLTRANSFERASE TRM5A
(Pyrococcus
abyssi) 		5 / 12 ASP A 243
PRO A 262
PHE A 191
GLY A 193
GLU A 213
 MTA  A 401 (-3.3A)
G  C  37 ( 4.1A)
MTA  A 401 (-4.4A)
MTA  A 401 (-3.6A)
MTA  A 401 (-3.5A)
 0.73A 5hfjF-5wt3A:
2.3		 5hfjF-5wt3A:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HJI_A_ADNA401_1
(TRNA
(GUANINE(37)-N1)-MET
HYLTRANSFERASE TRM5A)		 5wt3 TRNA
(GUANINE(37)-N1)-MET
HYLTRANSFERASE TRM5A
(Pyrococcus
abyssi) 		11 / 11 LEU A 131
TYR A 132
ARG A 133
PHE A 191
GLY A 193
GLU A 213
ILE A 214
ASN A 215
ASP A 243
VAL A 244
PRO A 262
 None
None
G  C  37 ( 4.0A)
MTA  A 401 (-4.4A)
MTA  A 401 (-3.6A)
MTA  A 401 (-3.5A)
MTA  A 401 (-3.7A)
None
MTA  A 401 (-3.3A)
MTA  A 401 (-3.8A)
G  C  37 ( 4.1A)
 0.65A 5hjiA-5wt3A:
38.4		 5hjiA-5wt3A:
80.81
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.
5JW1_B_CELB602_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 5co4 PUTATIVE TRNA
(CYTIDINE(34)-2'-O)-
METHYLTRANSFERASE
(Thermus
thermophilus) 		6 / 12 LEU B  98
LEU B 107
ALA B  90
GLY B 136
ALA B 134
LEU B 131
 None
None
None
None
MTA  B 401 (-3.5A)
MTA  B 401 ( 4.2A)
 1.30A 5jw1B-5co4B:
undetectable		 5jw1B-5co4B:
16.16
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.
5K7U_A_SAMA601_0
(N6-ADENOSINE-METHYLT
RANSFERASE 70 KDA
SUBUNIT)		 5xnc -
(-) 		5 / 12 ASP A 206
ARG A 208
PRO A 227
LEU A 342
PHE A 236
 MTA  A 401 (-3.6A)
MTA  A 401 ( 4.3A)
MTA  A 401 (-3.7A)
None
MTA  A 401 (-4.8A)
 1.32A 5k7uA-5xncA:
undetectable		 5k7uA-5xncA:
undetectable
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.
5L0Z_A_SAMA304_0
(PROBABLE RNA
METHYLTRANSFERASE,
TRMH FAMILY)		 5co4 PUTATIVE TRNA
(CYTIDINE(34)-2'-O)-
METHYLTRANSFERASE
(Thermus
thermophilus) 		7 / 12 GLY B 101
GLY B 106
ILE B 120
SER B 128
LEU B 129
LEU B 131
ALA B 134
 MTA  B 401 (-3.2A)
MTA  B 401 (-3.2A)
MTA  B 401 (-3.7A)
MTA  B 401 ( 3.9A)
MTA  B 401 (-4.3A)
MTA  B 401 ( 4.2A)
MTA  B 401 (-3.5A)
 0.47A 5l0zA-5co4B:
20.0		 5l0zA-5co4B:
24.83
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.
5L0Z_B_SAMB304_0
(PROBABLE RNA
METHYLTRANSFERASE,
TRMH FAMILY)		 5co4 PUTATIVE TRNA
(CYTIDINE(34)-2'-O)-
METHYLTRANSFERASE
(Thermus
thermophilus) 		7 / 10 GLY B 101
GLY B 106
ILE B 120
SER B 128
LEU B 129
LEU B 131
ALA B 134
 MTA  B 401 (-3.2A)
MTA  B 401 (-3.2A)
MTA  B 401 (-3.7A)
MTA  B 401 ( 3.9A)
MTA  B 401 (-4.3A)
MTA  B 401 ( 4.2A)
MTA  B 401 (-3.5A)
 0.44A 5l0zB-5co4B:
8.0		 5l0zB-5co4B:
24.83
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.
5O96_D_SAMD501_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE E)		 5co4 PUTATIVE TRNA
(CYTIDINE(34)-2'-O)-
METHYLTRANSFERASE
(Thermus
thermophilus) 		5 / 10 GLY B 101
GLU B 103
GLY B 106
LEU B 129
ALA B 134
 MTA  B 401 (-3.2A)
MTA  B 401 (-4.3A)
MTA  B 401 (-3.2A)
MTA  B 401 (-4.3A)
MTA  B 401 (-3.5A)
 0.81A 5o96C-5co4B:
13.3
5o96D-5co4B:
13.0		 5o96C-5co4B:
19.59
5o96D-5co4B:
19.59
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.
5O96_F_SAMF501_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE E)		 5co4 PUTATIVE TRNA
(CYTIDINE(34)-2'-O)-
METHYLTRANSFERASE
(Thermus
thermophilus) 		5 / 10 GLY B 101
GLU B 103
GLY B 106
LEU B 129
ALA B 134
 MTA  B 401 (-3.2A)
MTA  B 401 (-4.3A)
MTA  B 401 (-3.2A)
MTA  B 401 (-4.3A)
MTA  B 401 (-3.5A)
 0.87A 5o96E-5co4B:
9.6
5o96F-5co4B:
11.0		 5o96E-5co4B:
19.59
5o96F-5co4B:
19.59
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.
5VM8_B_SAMB301_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE E)		 4uoe SPERMIDINE SYNTHASE
(Plasmodium
falciparum) 		5 / 10 VAL A 123
GLY A 124
GLY A 126
ILE A 176
ALA A 179
 None
MTA  A 401 (-3.5A)
MTA  A 401 ( 4.5A)
None
MTA  A 401 (-3.6A)
 0.87A 5vm8B-4uoeA:
undetectable		 5vm8B-4uoeA:
20.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5W8A_A_SAMA300_0
(AUTOINDUCER SYNTHASE)		 5w8d AUTOINDUCER SYNTHASE
(Bradyrhizobium
japonicum) 		5 / 12 MET A  78
VAL A  82
SER A 102
ARG A  69
ILE A 138
 MTA  A 301 (-3.6A)
MTA  A 301 (-4.7A)
None
None
MTA  A 301 (-4.2A)
 1.41A 5w8aA-5w8dA:
40.3		 5w8aA-5w8dA:
99.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5W8A_A_SAMA300_0
(AUTOINDUCER SYNTHASE)		 5w8d AUTOINDUCER SYNTHASE
(Bradyrhizobium
japonicum) 		12 / 12 TRP A  34
THR A  36
LEU A  37
TYR A  48
MET A  78
VAL A  82
PHE A  83
SER A 102
ARG A 103
ILE A 138
GLU A 164
THR A 168
 MTA  A 301 (-3.8A)
MTA  A 301 (-3.6A)
MTA  A 301 ( 4.9A)
MTA  A 301 (-4.8A)
MTA  A 301 (-3.6A)
MTA  A 301 (-4.7A)
MTA  A 301 (-4.6A)
None
MTA  A 301 ( 3.0A)
MTA  A 301 (-4.2A)
None
MTA  A 301 ( 4.5A)
 0.37A 5w8aA-5w8dA:
40.3		 5w8aA-5w8dA:
99.55
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.
5WY0_A_SAMA800_0
(SMALL RNA
2'-O-METHYLTRANSFERA
SE)		 3anx SPERMIDINE SYNTHASE
(Thermus
thermophilus) 		6 / 12 GLY A  85
GLY A  87
ASP A 108
ILE A 109
LEU A 159
LEU A 172
 MTA  A 315 (-3.2A)
MTA  A 315 (-4.0A)
MTA  A 315 (-3.3A)
MTA  A 315 (-3.7A)
None
MTA  A 315 (-4.3A)
 1.08A 5wy0A-3anxA:
11.1		 5wy0A-3anxA:
21.41
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.
5X6Y_A_SAMA901_0
(MRNA CAPPING ENZYME
P5)		 4uoe SPERMIDINE SYNTHASE
(Plasmodium
falciparum) 		6 / 11 VAL A 123
GLY A 124
GLU A 147
ASP A 178
ALA A 179
LEU A 207
 None
MTA  A 401 (-3.5A)
MTA  A 401 (-2.7A)
MTA  A 401 (-3.2A)
MTA  A 401 (-3.6A)
MTA  A 401 (-4.4A)
 0.87A 5x6yA-4uoeA:
4.1		 5x6yA-4uoeA:
17.16
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.
5X6Y_B_SAMB901_0
(MRNA CAPPING ENZYME
P5)		 4uoe SPERMIDINE SYNTHASE
(Plasmodium
falciparum) 		6 / 10 VAL A 123
GLY A 124
GLU A 147
ASP A 178
ALA A 179
LEU A 207
 None
MTA  A 401 (-3.5A)
MTA  A 401 (-2.7A)
MTA  A 401 (-3.2A)
MTA  A 401 (-3.6A)
MTA  A 401 (-4.4A)
 0.81A 5x6yB-4uoeA:
3.3		 5x6yB-4uoeA:
17.16
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.
5X6Y_C_SAMC901_0
(MRNA CAPPING ENZYME
P5)		 4uoe SPERMIDINE SYNTHASE
(Plasmodium
falciparum) 		6 / 11 VAL A 123
GLY A 124
GLU A 147
ASP A 178
ALA A 179
LEU A 207
 None
MTA  A 401 (-3.5A)
MTA  A 401 (-2.7A)
MTA  A 401 (-3.2A)
MTA  A 401 (-3.6A)
MTA  A 401 (-4.4A)
 0.74A 5x6yC-4uoeA:
7.2		 5x6yC-4uoeA:
17.16
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.
5YN6_A_SAMA401_0
(NSP16 PROTEIN)		 3c6m SPERMINE SYNTHASE
(Homo
sapiens) 		5 / 12 GLY A 198
GLY A 202
ASP A 255
CYH A 256
ASP A 276
 MTA  A 401 (-3.3A)
None
MTA  A 401 (-3.6A)
MTA  A 401 (-3.5A)
SPM  A 501 ( 3.2A)
 1.18A 5yn6A-3c6mA:
8.6		 5yn6A-3c6mA:
22.75
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.
5YN6_A_SAMA401_0
(NSP16 PROTEIN)		 3c6m SPERMINE SYNTHASE
(Homo
sapiens) 		5 / 12 GLY A 198
GLY A 203
ASP A 255
CYH A 256
ASP A 276
 MTA  A 401 (-3.3A)
None
MTA  A 401 (-3.6A)
MTA  A 401 (-3.5A)
SPM  A 501 ( 3.2A)
 0.92A 5yn6A-3c6mA:
8.6		 5yn6A-3c6mA:
22.75
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.
5YNI_A_SAMA401_0
(NSP16 PROTEIN)		 3c6m SPERMINE SYNTHASE
(Homo
sapiens) 		5 / 12 GLY A 198
GLY A 202
ASP A 255
CYH A 256
ASP A 276
 MTA  A 401 (-3.3A)
None
MTA  A 401 (-3.6A)
MTA  A 401 (-3.5A)
SPM  A 501 ( 3.2A)
 1.16A 5yniA-3c6mA:
8.5		 5yniA-3c6mA:
22.75
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.
5YNI_A_SAMA401_0
(NSP16 PROTEIN)		 3c6m SPERMINE SYNTHASE
(Homo
sapiens) 		5 / 12 GLY A 198
GLY A 203
ASP A 255
CYH A 256
ASP A 276
 MTA  A 401 (-3.3A)
None
MTA  A 401 (-3.6A)
MTA  A 401 (-3.5A)
SPM  A 501 ( 3.2A)
 0.87A 5yniA-3c6mA:
8.5		 5yniA-3c6mA:
22.75
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.
5YNM_A_SAMA401_0
(NSP16 PROTEIN)		 3c6m SPERMINE SYNTHASE
(Homo
sapiens) 		5 / 12 GLY A 198
GLY A 202
ASP A 255
CYH A 256
ASP A 276
 MTA  A 401 (-3.3A)
None
MTA  A 401 (-3.6A)
MTA  A 401 (-3.5A)
SPM  A 501 ( 3.2A)
 1.15A 5ynmA-3c6mA:
8.6		 5ynmA-3c6mA:
22.75
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.
5YNM_A_SAMA401_0
(NSP16 PROTEIN)		 3c6m SPERMINE SYNTHASE
(Homo
sapiens) 		5 / 12 GLY A 198
GLY A 203
ASP A 255
CYH A 256
ASP A 276
 MTA  A 401 (-3.3A)
None
MTA  A 401 (-3.6A)
MTA  A 401 (-3.5A)
SPM  A 501 ( 3.2A)
 0.88A 5ynmA-3c6mA:
8.6		 5ynmA-3c6mA:
22.75
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.
6BQ4_A_ADNA401_1
(THERMOSPERMINE
SYNTHASE ACAULIS
PROTEIN)		 3anx SPERMIDINE SYNTHASE
(Thermus
thermophilus) 		9 / 12 GLN A  33
GLY A  85
ASP A 108
ILE A 109
ASP A 110
ASP A 140
ALA A 141
LEU A 159
LEU A 172
 MTA  A 315 (-3.7A)
MTA  A 315 (-3.2A)
MTA  A 315 (-3.3A)
MTA  A 315 (-3.7A)
None
MTA  A 315 (-3.9A)
MTA  A 315 (-3.5A)
None
MTA  A 315 (-4.3A)
 0.57A 6bq4A-3anxA:
40.3		 6bq4A-3anxA:
14.04
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.
6BQ4_A_ADNA401_1
(THERMOSPERMINE
SYNTHASE ACAULIS
PROTEIN)		 3anx SPERMIDINE SYNTHASE
(Thermus
thermophilus) 		7 / 12 GLY A  85
ASP A 108
ILE A 109
VAL A 114
ASP A 140
ALA A 141
LEU A 172
 MTA  A 315 (-3.2A)
MTA  A 315 (-3.3A)
MTA  A 315 (-3.7A)
None
MTA  A 315 (-3.9A)
MTA  A 315 (-3.5A)
MTA  A 315 (-4.3A)
 1.21A 6bq4A-3anxA:
40.3		 6bq4A-3anxA:
14.04
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.
6BQ4_A_ADNA401_1
(THERMOSPERMINE
SYNTHASE ACAULIS
PROTEIN)		 3c6m SPERMINE SYNTHASE
(Homo
sapiens) 		7 / 12 GLN A 148
GLY A 198
ILE A 221
ASP A 222
VAL A 225
ASP A 255
LEU A 277
 MTA  A 401 (-3.5A)
MTA  A 401 (-3.3A)
MTA  A 401 (-3.8A)
None
MTA  A 401 (-4.2A)
MTA  A 401 (-3.6A)
MTA  A 401 ( 4.4A)
 0.54A 6bq4A-3c6mA:
23.0		 6bq4A-3c6mA:
11.87
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.
6BQ4_A_ADNA401_1
(THERMOSPERMINE
SYNTHASE ACAULIS
PROTEIN)		 4uoe SPERMIDINE SYNTHASE
(Plasmodium
falciparum) 		6 / 12 GLN A  72
GLY A 124
ILE A 148
ASP A 149
VAL A 152
ALA A 179
 MTA  A 401 (-3.3A)
MTA  A 401 (-3.5A)
MTA  A 401 (-3.8A)
None
MTA  A 401 (-4.3A)
MTA  A 401 (-3.6A)
 0.59A 6bq4A-4uoeA:
35.8		 6bq4A-4uoeA:
18.42
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.
6BQ4_A_ADNA401_1
(THERMOSPERMINE
SYNTHASE ACAULIS
PROTEIN)		 4uoe SPERMIDINE SYNTHASE
(Plasmodium
falciparum) 		5 / 12 GLN A  72
ILE A 148
ASP A 149
ALA A 179
LEU A 207
 MTA  A 401 (-3.3A)
MTA  A 401 (-3.8A)
None
MTA  A 401 (-3.6A)
MTA  A 401 (-4.4A)
 0.94A 6bq4A-4uoeA:
35.8		 6bq4A-4uoeA:
18.42
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.
6BQ4_A_ADNA401_1
(THERMOSPERMINE
SYNTHASE ACAULIS
PROTEIN)		 4uoe SPERMIDINE SYNTHASE
(Plasmodium
falciparum) 		7 / 12 GLY A 124
ILE A 148
ASP A 149
VAL A 152
ASP A 178
ALA A 179
LEU A 207
 MTA  A 401 (-3.5A)
MTA  A 401 (-3.8A)
None
MTA  A 401 (-4.3A)
MTA  A 401 (-3.2A)
MTA  A 401 (-3.6A)
MTA  A 401 (-4.4A)
 0.65A 6bq4A-4uoeA:
35.8		 6bq4A-4uoeA:
18.42
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.
6BQ4_A_ADNA401_1
(THERMOSPERMINE
SYNTHASE ACAULIS
PROTEIN)		 5xnc -
(-) 		5 / 12 GLY A 157
ASP A 179
ILE A 180
ASP A 181
ASP A 206
 MTA  A 401 ( 3.7A)
MTA  A 401 (-2.8A)
MTA  A 401 (-3.6A)
None
MTA  A 401 (-3.6A)
 0.77A 6bq4A-5xncA:
9.0		 6bq4A-5xncA:
undetectable
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.
6BQ4_B_ADNB401_1
(THERMOSPERMINE
SYNTHASE ACAULIS
PROTEIN)		 3anx SPERMIDINE SYNTHASE
(Thermus
thermophilus) 		8 / 12 GLN A  33
GLY A  85
ASP A 108
ILE A 109
ASP A 110
ASP A 140
ALA A 141
LEU A 159
 MTA  A 315 (-3.7A)
MTA  A 315 (-3.2A)
MTA  A 315 (-3.3A)
MTA  A 315 (-3.7A)
None
MTA  A 315 (-3.9A)
MTA  A 315 (-3.5A)
None
 0.43A 6bq4B-3anxA:
40.4		 6bq4B-3anxA:
14.04
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.
6BQ4_B_ADNB401_1
(THERMOSPERMINE
SYNTHASE ACAULIS
PROTEIN)		 3anx SPERMIDINE SYNTHASE
(Thermus
thermophilus) 		6 / 12 GLY A  85
ASP A 108
ILE A 109
VAL A 114
ASP A 140
ALA A 141
 MTA  A 315 (-3.2A)
MTA  A 315 (-3.3A)
MTA  A 315 (-3.7A)
None
MTA  A 315 (-3.9A)
MTA  A 315 (-3.5A)
 1.20A 6bq4B-3anxA:
40.4		 6bq4B-3anxA:
14.04
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.
6BQ4_B_ADNB401_1
(THERMOSPERMINE
SYNTHASE ACAULIS
PROTEIN)		 3c6m SPERMINE SYNTHASE
(Homo
sapiens) 		7 / 12 GLN A 148
GLY A 198
ILE A 221
ASP A 222
VAL A 225
ASP A 255
LEU A 277
 MTA  A 401 (-3.5A)
MTA  A 401 (-3.3A)
MTA  A 401 (-3.8A)
None
MTA  A 401 (-4.2A)
MTA  A 401 (-3.6A)
MTA  A 401 ( 4.4A)
 0.47A 6bq4B-3c6mA:
23.3		 6bq4B-3c6mA:
11.87
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.
6BQ4_B_ADNB401_1
(THERMOSPERMINE
SYNTHASE ACAULIS
PROTEIN)		 4uoe SPERMIDINE SYNTHASE
(Plasmodium
falciparum) 		5 / 12 GLN A  72
GLY A 124
ASP A 149
VAL A 152
ALA A 204
 MTA  A 401 (-3.3A)
MTA  A 401 (-3.5A)
None
MTA  A 401 (-4.3A)
MTA  A 401 (-3.5A)
 1.06A 6bq4B-4uoeA:
36.0		 6bq4B-4uoeA:
18.42
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.
6BQ4_B_ADNB401_1
(THERMOSPERMINE
SYNTHASE ACAULIS
PROTEIN)		 4uoe SPERMIDINE SYNTHASE
(Plasmodium
falciparum) 		7 / 12 GLN A  72
GLY A 124
ILE A 148
ASP A 149
VAL A 152
ASP A 178
ALA A 179
 MTA  A 401 (-3.3A)
MTA  A 401 (-3.5A)
MTA  A 401 (-3.8A)
None
MTA  A 401 (-4.3A)
MTA  A 401 (-3.2A)
MTA  A 401 (-3.6A)
 0.56A 6bq4B-4uoeA:
36.0		 6bq4B-4uoeA:
18.42
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.
6BQ4_B_ADNB401_1
(THERMOSPERMINE
SYNTHASE ACAULIS
PROTEIN)		 4uoe SPERMIDINE SYNTHASE
(Plasmodium
falciparum) 		5 / 12 GLN A  72
ILE A 148
ASP A 149
ALA A 179
LEU A 207
 MTA  A 401 (-3.3A)
MTA  A 401 (-3.8A)
None
MTA  A 401 (-3.6A)
MTA  A 401 (-4.4A)
 0.85A 6bq4B-4uoeA:
36.0		 6bq4B-4uoeA:
18.42
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.
6BQ4_B_ADNB401_1
(THERMOSPERMINE
SYNTHASE ACAULIS
PROTEIN)		 4uoe SPERMIDINE SYNTHASE
(Plasmodium
falciparum) 		5 / 12 GLY A 124
ILE A 148
ASP A 178
ALA A 179
PRO A 203
 MTA  A 401 (-3.5A)
MTA  A 401 (-3.8A)
MTA  A 401 (-3.2A)
MTA  A 401 (-3.6A)
MTA  A 401 (-4.1A)
 0.53A 6bq4B-4uoeA:
36.0		 6bq4B-4uoeA:
18.42
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.
6BQ4_B_ADNB401_1
(THERMOSPERMINE
SYNTHASE ACAULIS
PROTEIN)		 5xnc -
(-) 		5 / 12 GLN A 127
ASP A 179
ILE A 180
ASP A 181
ASP A 206
 MTA  A 401 ( 3.8A)
MTA  A 401 (-2.8A)
MTA  A 401 (-3.6A)
None
MTA  A 401 (-3.6A)
 1.03A 6bq4B-5xncA:
9.3		 6bq4B-5xncA:
undetectable
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.
6BQ4_B_ADNB401_1
(THERMOSPERMINE
SYNTHASE ACAULIS
PROTEIN)		 5xnc -
(-) 		5 / 12 GLY A 157
ASP A 179
ILE A 180
ASP A 181
ASP A 206
 MTA  A 401 ( 3.7A)
MTA  A 401 (-2.8A)
MTA  A 401 (-3.6A)
None
MTA  A 401 (-3.6A)
 0.75A 6bq4B-5xncA:
9.3		 6bq4B-5xncA:
undetectable
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.
6BXN_B_SAMB901_0
(DIPHTHAMIDE
BIOSYNTHESIS ENZYME
DPH2)		 3c6m SPERMINE SYNTHASE
(Homo
sapiens) 		5 / 12 GLY A 199
SER A 145
GLN A 148
ILE A 221
ASP A 255
 MTA  A 401 (-3.9A)
None
MTA  A 401 (-3.5A)
MTA  A 401 (-3.8A)
MTA  A 401 (-3.6A)
 1.19A 6bxnB-3c6mA:
2.8		 6bxnB-3c6mA:
21.67
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.
6BXN_B_SAMB901_0
(DIPHTHAMIDE
BIOSYNTHESIS ENZYME
DPH2)		 4uoe SPERMIDINE SYNTHASE
(Plasmodium
falciparum) 		5 / 12 GLY A 125
SER A  69
GLN A  72
ILE A 148
ASP A 178
 MTA  A 401 (-3.8A)
None
MTA  A 401 (-3.3A)
MTA  A 401 (-3.8A)
MTA  A 401 (-3.2A)
 1.32A 6bxnB-4uoeA:
2.3		 6bxnB-4uoeA:
21.45
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.
6F6N_A_SREA508_1
(ENVELOPE
GLYCOPROTEIN,ENVELOP
E GLYCOPROTEIN,GP1
ENVELOPE
GLYCOPROTEIN)		 4uoe SPERMIDINE SYNTHASE
(Plasmodium
falciparum) 		5 / 10 ILE A  92
VAL A 152
LEU A  86
LEU A  94
LEU A  88
 None
MTA  A 401 (-4.3A)
None
None
None
 1.04A 6f6nA-4uoeA:
undetectable
6f6nB-4uoeA:
undetectable		 6f6nA-4uoeA:
17.25
6f6nB-4uoeA:
13.77
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.
6FBV_D_FI8D1904_0
(DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA
DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA')		 2yy8 UPF0106 PROTEIN
PH0461
(Pyrococcus
horikoshii) 		4 / 8 ILE A  34
THR A  18
VAL A  17
GLU A 134
 None
None
None
MTA  A 400 (-4.0A)
 0.95A 6fbvC-2yy8A:
undetectable		 6fbvC-2yy8A:
10.55
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.
6IFT_A_SAMA301_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE A)		 3anx SPERMIDINE SYNTHASE
(Thermus
thermophilus) 		5 / 12 GLY A  85
GLY A  87
ALA A  90
ILE A 109
ASP A 110
 MTA  A 315 (-3.2A)
MTA  A 315 (-4.0A)
None
MTA  A 315 (-3.7A)
None
 0.60A 6iftA-3anxA:
9.5		 6iftA-3anxA:
23.58