SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4a6e'

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.
1FPQ_A_SAMA1699_0
(ISOLIQUIRITIGENIN
2'-O-METHYLTRANSFERA
SE)		 4a6e HYDROXYINDOLE
O-METHYLTRANSFERASE
(Homo
sapiens) 		5 / 10 GLY A 187
ASP A 210
VAL A 214
ASP A 236
ALA A 251
 SAM  A1349 (-3.6A)
SAM  A1349 (-2.9A)
SAM  A1349 (-4.9A)
SAM  A1349 (-3.5A)
SAM  A1349 (-3.7A)
 0.88A 1fpqA-4a6eA:
19.8		 1fpqA-4a6eA:
26.15
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.
1FPQ_A_SAMA1699_0
(ISOLIQUIRITIGENIN
2'-O-METHYLTRANSFERA
SE)		 4a6e HYDROXYINDOLE
O-METHYLTRANSFERASE
(Homo
sapiens) 		5 / 10 GLY A 187
ASP A 210
VAL A 214
ASP A 236
TRP A 257
 SAM  A1349 (-3.6A)
SAM  A1349 (-2.9A)
SAM  A1349 (-4.9A)
SAM  A1349 (-3.5A)
None
 0.32A 1fpqA-4a6eA:
19.8		 1fpqA-4a6eA:
26.15
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.
1QZZ_A_SAMA635_0
(ACLACINOMYCIN-10-HYD
ROXYLASE)		 4a6e HYDROXYINDOLE
O-METHYLTRANSFERASE
(Homo
sapiens) 		5 / 12 GLY A 187
GLY A 188
GLY A 189
ASP A 236
PHE A 237
 SAM  A1349 (-3.6A)
SAM  A1349 ( 4.0A)
SAM  A1349 ( 3.8A)
SAM  A1349 (-3.5A)
SAM  A1349 (-3.5A)
 0.58A 1qzzA-4a6eA:
23.5		 1qzzA-4a6eA:
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.
1QZZ_A_SAMA635_0
(ACLACINOMYCIN-10-HYD
ROXYLASE)		 4a6e HYDROXYINDOLE
O-METHYLTRANSFERASE
(Homo
sapiens) 		5 / 12 GLY A 187
GLY A 188
GLY A 189
ASP A 236
TRP A 257
 SAM  A1349 (-3.6A)
SAM  A1349 ( 4.0A)
SAM  A1349 ( 3.8A)
SAM  A1349 (-3.5A)
None
 0.62A 1qzzA-4a6eA:
23.5		 1qzzA-4a6eA:
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.
1S9P_B_DESB459_1
(ESTROGEN-RELATED
RECEPTOR GAMMA)		 4a6e HYDROXYINDOLE
O-METHYLTRANSFERASE
(Homo
sapiens) 		5 / 12 LEU A  25
CYH A  29
LEU A  31
VAL A  49
LEU A  73
 None
 1.26A 1s9pB-4a6eA:
undetectable		 1s9pB-4a6eA:
20.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1TLS_A_C2FA266_0
(THYMIDYLATE SYNTHASE)		 4a6e HYDROXYINDOLE
O-METHYLTRANSFERASE
(Homo
sapiens) 		5 / 12 SER A  90
LEU A  36
GLY A  32
VAL A  49
ALA A  50
 None
GOL  A1357 ( 4.6A)
GOL  A1357 ( 4.1A)
None
None
 1.15A 1tlsA-4a6eA:
undetectable		 1tlsA-4a6eA:
20.74
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.
1XDS_A_SAMA5635_0
(PROTEIN RDMB)		 4a6e HYDROXYINDOLE
O-METHYLTRANSFERASE
(Homo
sapiens) 		6 / 12 GLY A 187
GLY A 188
GLY A 189
ASP A 236
PHE A 237
TRP A 257
 SAM  A1349 (-3.6A)
SAM  A1349 ( 4.0A)
SAM  A1349 ( 3.8A)
SAM  A1349 (-3.5A)
SAM  A1349 (-3.5A)
None
 0.59A 1xdsA-4a6eA:
30.0		 1xdsA-4a6eA:
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.
1XDS_B_SAMB9635_0
(PROTEIN RDMB)		 4a6e HYDROXYINDOLE
O-METHYLTRANSFERASE
(Homo
sapiens) 		6 / 12 GLY A 187
GLY A 188
GLY A 189
ASP A 236
PHE A 237
TRP A 257
 SAM  A1349 (-3.6A)
SAM  A1349 ( 4.0A)
SAM  A1349 ( 3.8A)
SAM  A1349 (-3.5A)
SAM  A1349 (-3.5A)
None
 0.61A 1xdsB-4a6eA:
28.5		 1xdsB-4a6eA:
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.
2J2P_B_SC2B1294_1
(FICOLIN-2)		 4a6e HYDROXYINDOLE
O-METHYLTRANSFERASE
(Homo
sapiens) 		5 / 9 VAL A 208
GLY A 188
LEU A 250
LEU A 265
ASP A 210
 None
SAM  A1349 ( 4.0A)
None
None
SAM  A1349 (-2.9A)
 1.47A 2j2pB-4a6eA:
undetectable
2j2pC-4a6eA:
undetectable		 2j2pB-4a6eA:
20.72
2j2pC-4a6eA:
20.72
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.
2KCE_B_D16B568_1
(THYMIDYLATE SYNTHASE)		 4a6e HYDROXYINDOLE
O-METHYLTRANSFERASE
(Homo
sapiens) 		5 / 12 SER A  90
LEU A  36
GLY A  32
VAL A  49
ALA A  50
 None
GOL  A1357 ( 4.6A)
GOL  A1357 ( 4.1A)
None
None
 1.21A 2kceB-4a6eA:
undetectable		 2kceB-4a6eA:
20.74
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.
2WEY_A_EV1A1771_1
(CAMP AND
CAMP-INHIBITED CGMP
3', 5'-CYCLIC
PHOSPHODIESTERASE)		 4a6e HYDROXYINDOLE
O-METHYLTRANSFERASE
(Homo
sapiens) 		5 / 12 TYR A 147
LEU A 160
ILE A 146
TYR A 131
GLN A 306
 SAM  A1349 (-4.7A)
SAM  A1349 (-4.1A)
None
None
ASE  A1350 (-3.4A)
 1.23A 2weyA-4a6eA:
undetectable		 2weyA-4a6eA:
22.62
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.
2YVL_A_SAMA601_0
(HYPOTHETICAL PROTEIN)		 4a6e HYDROXYINDOLE
O-METHYLTRANSFERASE
(Homo
sapiens) 		5 / 12 GLY A 187
GLY A 189
ALA A 192
LEU A 193
VAL A 253
 SAM  A1349 (-3.6A)
SAM  A1349 ( 3.8A)
None
None
SAM  A1349 ( 4.7A)
 0.71A 2yvlA-4a6eA:
12.2		 2yvlA-4a6eA:
22.99
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.
2YVL_B_SAMB602_0
(HYPOTHETICAL PROTEIN)		 4a6e HYDROXYINDOLE
O-METHYLTRANSFERASE
(Homo
sapiens) 		5 / 12 GLY A 187
GLY A 189
ALA A 192
LEU A 193
VAL A 253
 SAM  A1349 (-3.6A)
SAM  A1349 ( 3.8A)
None
None
SAM  A1349 ( 4.7A)
 0.71A 2yvlB-4a6eA:
12.2		 2yvlB-4a6eA:
22.99
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.
2YVL_D_SAMD603_0
(HYPOTHETICAL PROTEIN)		 4a6e HYDROXYINDOLE
O-METHYLTRANSFERASE
(Homo
sapiens) 		5 / 12 GLY A 187
GLY A 189
ALA A 192
LEU A 193
VAL A 253
 SAM  A1349 (-3.6A)
SAM  A1349 ( 3.8A)
None
None
SAM  A1349 ( 4.7A)
 0.74A 2yvlD-4a6eA:
12.3		 2yvlD-4a6eA:
22.99
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.
2ZI9_A_CL9A401_2
(DEOXYCYTIDINE KINASE)		 4a6e HYDROXYINDOLE
O-METHYLTRANSFERASE
(Homo
sapiens) 		3 / 3 ASP A 236
PHE A 237
LEU A 242
 SAM  A1349 (-3.5A)
SAM  A1349 (-3.5A)
None
 0.45A 2zi9A-4a6eA:
undetectable		 2zi9A-4a6eA:
21.49
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.
3AF0_A_PAUA314_0
(PANTOTHENATE KINASE)		 4a6e HYDROXYINDOLE
O-METHYLTRANSFERASE
(Homo
sapiens) 		4 / 8 ASP A 259
GLY A 309
HIS A 316
TYR A 317
 None
 0.98A 3af0A-4a6eA:
undetectable		 3af0A-4a6eA:
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.
3BGD_B_PM6B302_1
(THIOPURINE
S-METHYLTRANSFERASE)		 4a6e HYDROXYINDOLE
O-METHYLTRANSFERASE
(Homo
sapiens) 		4 / 7 PHE A 175
LEU A 342
LEU A 247
LEU A 280
 None
 0.61A 3bgdB-4a6eA:
13.3		 3bgdB-4a6eA:
23.23
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)		 4a6e HYDROXYINDOLE
O-METHYLTRANSFERASE
(Homo
sapiens) 		5 / 12 ASP A 185
LEU A 186
GLY A 187
ASP A 210
LEU A 265
 SAM  A1349 ( 4.6A)
None
SAM  A1349 (-3.6A)
SAM  A1349 (-2.9A)
None
 0.99A 3cjtC-4a6eA:
11.2		 3cjtC-4a6eA:
23.73
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.
3CJT_C_SAMC302_0
(RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE)		 4a6e HYDROXYINDOLE
O-METHYLTRANSFERASE
(Homo
sapiens) 		5 / 12 ASP A 185
LEU A 186
GLY A 187
LEU A 193
ASP A 210
 SAM  A1349 ( 4.6A)
None
SAM  A1349 (-3.6A)
None
SAM  A1349 (-2.9A)
 0.83A 3cjtC-4a6eA:
11.2		 3cjtC-4a6eA:
23.73
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.
3I5U_A_SAMA401_0
(O-METHYLTRANSFERASE)		 4a6e HYDROXYINDOLE
O-METHYLTRANSFERASE
(Homo
sapiens) 		5 / 12 PHE A 156
GLY A 188
GLY A 189
ASP A 256
TRP A 257
 ASE  A1350 ( 4.9A)
SAM  A1349 ( 4.0A)
SAM  A1349 ( 3.8A)
ASE  A1350 ( 2.9A)
None
 0.54A 3i5uA-4a6eA:
30.8		 3i5uA-4a6eA:
27.39
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.
3OU7_C_SAMC300_1
(SAM-DEPENDENT
METHYLTRANSFERASE)		 4a6e HYDROXYINDOLE
O-METHYLTRANSFERASE
(Homo
sapiens) 		3 / 3 GLY A 189
ASP A 210
ASP A 236
 SAM  A1349 ( 3.8A)
SAM  A1349 (-2.9A)
SAM  A1349 (-3.5A)
 0.29A 3ou7C-4a6eA:
16.4		 3ou7C-4a6eA:
23.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4A6D_A_SAMA1350_0
(HYDROXYINDOLE
O-METHYLTRANSFERASE)		 4a6e HYDROXYINDOLE
O-METHYLTRANSFERASE
(Homo
sapiens) 		8 / 12 PHE A 143
LEU A 160
TRP A 164
GLY A 188
ILE A 211
PHE A 237
ARG A 252
ASP A 256
 SAM  A1349 (-3.8A)
SAM  A1349 (-4.1A)
SAM  A1349 (-4.2A)
SAM  A1349 ( 4.0A)
SAM  A1349 (-4.6A)
SAM  A1349 (-3.5A)
SAM  A1349 ( 3.8A)
ASE  A1350 ( 2.9A)
 1.03A 4a6dA-4a6eA:
52.4		 4a6dA-4a6eA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4A6D_A_SAMA1350_0
(HYDROXYINDOLE
O-METHYLTRANSFERASE)		 4a6e HYDROXYINDOLE
O-METHYLTRANSFERASE
(Homo
sapiens) 		12 / 12 PHE A 143
TYR A 147
LEU A 160
TRP A 164
GLY A 187
GLY A 189
ILE A 211
VAL A 214
PHE A 237
ALA A 251
ARG A 252
ASP A 256
 SAM  A1349 (-3.8A)
SAM  A1349 (-4.7A)
SAM  A1349 (-4.1A)
SAM  A1349 (-4.2A)
SAM  A1349 (-3.6A)
SAM  A1349 ( 3.8A)
SAM  A1349 (-4.6A)
SAM  A1349 (-4.9A)
SAM  A1349 (-3.5A)
SAM  A1349 (-3.7A)
SAM  A1349 ( 3.8A)
ASE  A1350 ( 2.9A)
 0.29A 4a6dA-4a6eA:
52.4		 4a6dA-4a6eA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4A6D_A_SAMA1350_0
(HYDROXYINDOLE
O-METHYLTRANSFERASE)		 4a6e HYDROXYINDOLE
O-METHYLTRANSFERASE
(Homo
sapiens) 		6 / 12 TYR A 147
LEU A 160
GLY A 188
VAL A 214
ALA A 251
ARG A 252
 SAM  A1349 (-4.7A)
SAM  A1349 (-4.1A)
SAM  A1349 ( 4.0A)
SAM  A1349 (-4.9A)
SAM  A1349 (-3.7A)
SAM  A1349 ( 3.8A)
 1.14A 4a6dA-4a6eA:
52.4		 4a6dA-4a6eA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4A6E_A_SAMA1349_0
(HYDROXYINDOLE
O-METHYLTRANSFERASE)		 4a6e HYDROXYINDOLE
O-METHYLTRANSFERASE
(Homo
sapiens) 		5 / 12 LEU A 160
GLY A 188
VAL A 214
ALA A 251
ARG A 252
 SAM  A1349 (-4.1A)
SAM  A1349 ( 4.0A)
SAM  A1349 (-4.9A)
SAM  A1349 (-3.7A)
SAM  A1349 ( 3.8A)
 1.14A 4a6eA-4a6eA:
55.0		 4a6eA-4a6eA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4A6E_A_SAMA1349_0
(HYDROXYINDOLE
O-METHYLTRANSFERASE)		 4a6e HYDROXYINDOLE
O-METHYLTRANSFERASE
(Homo
sapiens) 		12 / 12 PHE A 143
LEU A 160
TRP A 164
GLY A 187
GLY A 189
ILE A 211
VAL A 214
PHE A 237
ALA A 251
ARG A 252
ASP A 256
TRP A 257
 SAM  A1349 (-3.8A)
SAM  A1349 (-4.1A)
SAM  A1349 (-4.2A)
SAM  A1349 (-3.6A)
SAM  A1349 ( 3.8A)
SAM  A1349 (-4.6A)
SAM  A1349 (-4.9A)
SAM  A1349 (-3.5A)
SAM  A1349 (-3.7A)
SAM  A1349 ( 3.8A)
ASE  A1350 ( 2.9A)
None
 0.02A 4a6eA-4a6eA:
55.0		 4a6eA-4a6eA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4A6E_A_SAMA1349_0
(HYDROXYINDOLE
O-METHYLTRANSFERASE)		 4a6e HYDROXYINDOLE
O-METHYLTRANSFERASE
(Homo
sapiens) 		9 / 12 PHE A 143
LEU A 160
TRP A 164
GLY A 188
ILE A 211
PHE A 237
ARG A 252
ASP A 256
TRP A 257
 SAM  A1349 (-3.8A)
SAM  A1349 (-4.1A)
SAM  A1349 (-4.2A)
SAM  A1349 ( 4.0A)
SAM  A1349 (-4.6A)
SAM  A1349 (-3.5A)
SAM  A1349 ( 3.8A)
ASE  A1350 ( 2.9A)
None
 0.94A 4a6eA-4a6eA:
55.0		 4a6eA-4a6eA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4A6E_A_SAMA1349_1
(HYDROXYINDOLE
O-METHYLTRANSFERASE)		 4a6e HYDROXYINDOLE
O-METHYLTRANSFERASE
(Homo
sapiens) 		3 / 3 TYR A 147
ASP A 210
ASP A 236
 SAM  A1349 (-4.7A)
SAM  A1349 (-2.9A)
SAM  A1349 (-3.5A)
 0.01A 4a6eA-4a6eA:
55.0		 4a6eA-4a6eA:
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.
4IV8_B_SAMB301_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE)		 4a6e HYDROXYINDOLE
O-METHYLTRANSFERASE
(Homo
sapiens) 		6 / 12 GLY A 187
GLY A 189
ASP A 210
ILE A 211
ASP A 236
ARG A 252
 SAM  A1349 (-3.6A)
SAM  A1349 ( 3.8A)
SAM  A1349 (-2.9A)
SAM  A1349 (-4.6A)
SAM  A1349 (-3.5A)
SAM  A1349 ( 3.8A)
 1.15A 4iv8B-4a6eA:
16.0		 4iv8B-4a6eA:
21.70
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.
4N49_A_SAMA601_0
(CAP-SPECIFIC MRNA
(NUCLEOSIDE-2'-O-)-M
ETHYLTRANSFERASE 1)		 4a6e HYDROXYINDOLE
O-METHYLTRANSFERASE
(Homo
sapiens) 		5 / 12 ALA A  55
GLY A  32
LEU A  94
THR A  87
LEU A  73
 None
GOL  A1357 ( 4.1A)
None
SO4  A1353 (-4.1A)
None
 1.03A 4n49A-4a6eA:
6.8		 4n49A-4a6eA:
23.77
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)		 4a6e HYDROXYINDOLE
O-METHYLTRANSFERASE
(Homo
sapiens) 		5 / 11 GLY A 187
GLY A 188
ASP A 210
VAL A 214
ASP A 236
 SAM  A1349 (-3.6A)
SAM  A1349 ( 4.0A)
SAM  A1349 (-2.9A)
SAM  A1349 (-4.9A)
SAM  A1349 (-3.5A)
 0.26A 4pghA-4a6eA:
30.7		 4pghA-4a6eA:
26.22
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.
4PGH_B_SAMB401_0
(CAFFEIC ACID
O-METHYLTRANSFERASE)		 4a6e HYDROXYINDOLE
O-METHYLTRANSFERASE
(Homo
sapiens) 		6 / 12 ASP A 185
GLY A 187
ASP A 210
ASP A 236
ASP A 256
TRP A 257
 SAM  A1349 ( 4.6A)
SAM  A1349 (-3.6A)
SAM  A1349 (-2.9A)
SAM  A1349 (-3.5A)
ASE  A1350 ( 2.9A)
None
 0.55A 4pghB-4a6eA:
25.6		 4pghB-4a6eA:
26.22
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.
4PGH_C_SAMC401_0
(CAFFEIC ACID
O-METHYLTRANSFERASE)		 4a6e HYDROXYINDOLE
O-METHYLTRANSFERASE
(Homo
sapiens) 		5 / 11 GLY A 187
ASP A 210
VAL A 214
ASP A 236
TRP A 257
 SAM  A1349 (-3.6A)
SAM  A1349 (-2.9A)
SAM  A1349 (-4.9A)
SAM  A1349 (-3.5A)
None
 0.37A 4pghC-4a6eA:
25.5		 4pghC-4a6eA:
26.22
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.
4PGH_D_SAMD401_0
(CAFFEIC ACID
O-METHYLTRANSFERASE)		 4a6e HYDROXYINDOLE
O-METHYLTRANSFERASE
(Homo
sapiens) 		5 / 12 GLY A 187
GLY A 188
ASP A 210
ASP A 236
PHE A 238
 SAM  A1349 (-3.6A)
SAM  A1349 ( 4.0A)
SAM  A1349 (-2.9A)
SAM  A1349 (-3.5A)
SAM  A1349 (-4.7A)
 0.83A 4pghD-4a6eA:
25.3		 4pghD-4a6eA:
26.22
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.
4PGH_D_SAMD401_0
(CAFFEIC ACID
O-METHYLTRANSFERASE)		 4a6e HYDROXYINDOLE
O-METHYLTRANSFERASE
(Homo
sapiens) 		5 / 12 GLY A 187
GLY A 188
ASP A 210
PHE A 238
TRP A 257
 SAM  A1349 (-3.6A)
SAM  A1349 ( 4.0A)
SAM  A1349 (-2.9A)
SAM  A1349 (-4.7A)
None
 0.70A 4pghD-4a6eA:
25.3		 4pghD-4a6eA:
26.22
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.
4QC6_B_KANB201_2
(BIFUNCTIONAL AAC/APH)		 4a6e HYDROXYINDOLE
O-METHYLTRANSFERASE
(Homo
sapiens) 		3 / 3 LEU A  11
ASP A  14
TYR A  15
 None
 0.56A 4qc6B-4a6eA:
2.1		 4qc6B-4a6eA:
20.53
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.
4X1F_A_3WFA501_1
(NUCLEAR RECEPTOR
SUBFAMILY 1 GROUP I
MEMBER 2)		 4a6e HYDROXYINDOLE
O-METHYLTRANSFERASE
(Homo
sapiens) 		5 / 12 LEU A 242
LEU A 186
HIS A 264
LEU A 266
ILE A 269
 None
 1.02A 4x1fA-4a6eA:
undetectable		 4x1fA-4a6eA:
22.76
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.
4X1G_A_3WFA501_1
(NUCLEAR RECEPTOR
SUBFAMILY 1 GROUP I
MEMBER 2)		 4a6e HYDROXYINDOLE
O-METHYLTRANSFERASE
(Homo
sapiens) 		5 / 12 LEU A 242
LEU A 186
HIS A 264
LEU A 266
ILE A 269
 None
 1.01A 4x1gA-4a6eA:
undetectable		 4x1gA-4a6eA:
22.76
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.
5BMV_C_VLBC507_1
(TUBULIN BETA CHAIN
TUBULIN ALPHA-1B
CHAIN)		 4a6e HYDROXYINDOLE
O-METHYLTRANSFERASE
(Homo
sapiens) 		4 / 6 LYS A  74
ASP A  65
PRO A  43
LEU A  37
 SO4  A1353 (-3.2A)
None
None
None
 1.28A 5bmvB-4a6eA:
undetectable		 5bmvB-4a6eA:
20.72
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)		 4a6e HYDROXYINDOLE
O-METHYLTRANSFERASE
(Homo
sapiens) 		5 / 12 HIS A 264
LEU A 250
GLY A 325
ALA A 324
LEU A 321
 None
 1.06A 5jw1B-4a6eA:
undetectable		 5jw1B-4a6eA:
20.00
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.
5LRB_A_ACRA1003_1
(ALPHA-1,4 GLUCAN
PHOSPHORYLASE)		 4a6e HYDROXYINDOLE
O-METHYLTRANSFERASE
(Homo
sapiens) 		4 / 6 THR A 134
TYR A 131
TYR A 108
PHE A 143
 None
None
ASE  A1350 (-4.9A)
SAM  A1349 (-3.8A)
 1.33A 5lrbA-4a6eA:
undetectable		 5lrbA-4a6eA:
16.95
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.
5MRA_B_DM2B204_1
(SORCIN)		 4a6e HYDROXYINDOLE
O-METHYLTRANSFERASE
(Homo
sapiens) 		4 / 6 THR A 217
ARG A 153
ASP A 210
GLY A 189
 None
None
SAM  A1349 (-2.9A)
SAM  A1349 ( 3.8A)
 1.25A 5mraA-4a6eA:
undetectable
5mraB-4a6eA:
undetectable		 5mraA-4a6eA:
19.49
5mraB-4a6eA:
19.49
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.
5W7P_A_SAMA501_0
(OXAC)		 4a6e HYDROXYINDOLE
O-METHYLTRANSFERASE
(Homo
sapiens) 		7 / 12 PHE A 143
GLY A 188
VAL A 214
PHE A 237
ARG A 252
ASP A 256
TRP A 257
 SAM  A1349 (-3.8A)
SAM  A1349 ( 4.0A)
SAM  A1349 (-4.9A)
SAM  A1349 (-3.5A)
SAM  A1349 ( 3.8A)
ASE  A1350 ( 2.9A)
None
 0.57A 5w7pA-4a6eA:
29.1		 5w7pA-4a6eA:
25.06
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.
5W7P_A_SAMA501_0
(OXAC)		 4a6e HYDROXYINDOLE
O-METHYLTRANSFERASE
(Homo
sapiens) 		6 / 12 PHE A 143
GLY A 189
PHE A 237
ARG A 252
ASP A 256
TRP A 257
 SAM  A1349 (-3.8A)
SAM  A1349 ( 3.8A)
SAM  A1349 (-3.5A)
SAM  A1349 ( 3.8A)
ASE  A1350 ( 2.9A)
None
 1.13A 5w7pA-4a6eA:
29.1		 5w7pA-4a6eA:
25.06
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.
5WQP_A_NCAA302_0
(PROBABLE
DEHYDROGENASE)		 4a6e HYDROXYINDOLE
O-METHYLTRANSFERASE
(Homo
sapiens) 		4 / 8 SER A 113
MET A 109
MET A 105
TYR A 108
 ASE  A1350 ( 4.5A)
ASE  A1350 ( 4.8A)
ASE  A1350 (-4.4A)
ASE  A1350 (-4.9A)
 0.91A 5wqpA-4a6eA:
6.7		 5wqpA-4a6eA:
21.21
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.
6CLX_A_SAMA401_0
(O-METHYLTRANSFERASE)		 4a6e HYDROXYINDOLE
O-METHYLTRANSFERASE
(Homo
sapiens) 		5 / 12 GLY A 187
GLY A 189
PHE A 237
ASP A 256
TRP A 257
 SAM  A1349 (-3.6A)
SAM  A1349 ( 3.8A)
SAM  A1349 (-3.5A)
ASE  A1350 ( 2.9A)
None
 0.64A 6clxA-4a6eA:
32.5		 6clxA-4a6eA:
28.65
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.
6DRZ_A_H8JA1206_0
(5HT2B RECEPTOR, BRIL
CHIMERA)		 4a6e HYDROXYINDOLE
O-METHYLTRANSFERASE
(Homo
sapiens) 		5 / 12 LEU A 142
PHE A 143
GLY A 187
PHE A 238
PHE A 237
 None
SAM  A1349 (-3.8A)
SAM  A1349 (-3.6A)
SAM  A1349 (-4.7A)
SAM  A1349 (-3.5A)
 1.12A 6drzA-4a6eA:
undetectable		 6drzA-4a6eA:
20.56
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.
6I5Z_D_SAMD401_0
(O-METHYLTRANSFERASE
1)		 4a6e HYDROXYINDOLE
O-METHYLTRANSFERASE
(Homo
sapiens) 		6 / 11 GLY A 187
GLY A 189
ASP A 210
VAL A 214
ASP A 236
ASP A 256
 SAM  A1349 (-3.6A)
SAM  A1349 ( 3.8A)
SAM  A1349 (-2.9A)
SAM  A1349 (-4.9A)
SAM  A1349 (-3.5A)
ASE  A1350 ( 2.9A)
 0.57A 6i5zD-4a6eA:
25.5		 6i5zD-4a6eA:
27.99
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.
6NJ9_K_SAMK500_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-79
SPECIFIC)		 4a6e HYDROXYINDOLE
O-METHYLTRANSFERASE
(Homo
sapiens) 		5 / 12 ASP A 185
GLY A 187
GLY A 189
ASP A 236
PHE A 237
 SAM  A1349 ( 4.6A)
SAM  A1349 (-3.6A)
SAM  A1349 ( 3.8A)
SAM  A1349 (-3.5A)
SAM  A1349 (-3.5A)
 0.71A 6nj9K-4a6eA:
9.3		 6nj9K-4a6eA:
22.84