SIMILAR PATTERNS OF AMINO ACIDS FOR 3OPE_B_SAMB8

List of similar pattern of amino acids derived from ASSAM search

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 link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. 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.
1peg HISTONE H3
METHYLTRANSFERASE
DIM-5

(Neurospora
crassa) 		PF00856
(SET)
PF05033
(Pre-SET) 		5 GLY A 160
TRP A 161
TYR A 204
ASN A 241
TYR A 283
 SAH  A 319 ( 4.6A)
SAH  A 319 (-4.8A)
SAH  A 319 (-4.0A)
SAH  A 319 (-3.6A)
SAH  A 319 (-4.7A)
 0.53A 3opeB-1pegA:
18.0		 3opeB-1pegA:
28.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1peg HISTONE H3
METHYLTRANSFERASE
DIM-5

(Neurospora
crassa) 		PF00856
(SET)
PF05033
(Pre-SET) 		5 TRP A 161
ASP A 202
TYR A 204
ASN A 241
TYR A 283
 SAH  A 319 (-4.8A)
SAH  A 319 (-3.6A)
SAH  A 319 (-4.0A)
SAH  A 319 (-3.6A)
SAH  A 319 (-4.7A)
 0.73A 3opeB-1pegA:
18.0		 3opeB-1pegA:
28.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2r3a HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV39H2

(Homo sapiens) 		PF00856
(SET)
PF05033
(Pre-SET) 		5 GLY A 151
TRP A 152
TYR A 193
ASN A 219
TYR A 261
 SAM  A 304 (-3.5A)
None
SAM  A 304 (-4.2A)
SAM  A 304 (-3.3A)
SAM  A 304 (-4.9A)
 0.72A 3opeB-2r3aA:
18.3		 3opeB-2r3aA:
28.21
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.
3bo5 HISTONE-LYSINE
N-METHYLTRANSFERASE
SETMAR

(Homo sapiens) 		PF00856
(SET)
PF05033
(Pre-SET) 		5 GLY A 136
TRP A 137
TYR A 178
ASN A 209
TYR A 248
 SAH  A 305 (-3.8A)
None
SAH  A 305 (-4.0A)
SAH  A 305 (-3.4A)
SAH  A 305 (-4.9A)
 0.45A 3opeB-3bo5A:
19.1		 3opeB-3bo5A:
28.04
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.
3bo5 HISTONE-LYSINE
N-METHYLTRANSFERASE
SETMAR

(Homo sapiens) 		PF00856
(SET)
PF05033
(Pre-SET) 		5 LYS A 135
GLY A 136
TRP A 137
TYR A 178
ASN A 209
 None
SAH  A 305 (-3.8A)
None
SAH  A 305 (-4.0A)
SAH  A 305 (-3.4A)
 0.86A 3opeB-3bo5A:
19.1		 3opeB-3bo5A:
28.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ooi HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-36 AND H4
LYSINE-20 SPECIFIC

(Homo sapiens) 		PF00856
(SET) 		5 GLY A 102
TRP A 103
TYR A 146
ASN A 169
TYR A 207
 SAM  A 237 ( 3.7A)
None
SAM  A 237 (-4.1A)
SAM  A 237 (-3.3A)
None
 0.38A 3opeB-3ooiA:
24.4		 3opeB-3ooiA:
41.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ope PROBABLE
HISTONE-LYSINE
N-METHYLTRANSFERASE
ASH1L

(Homo sapiens) 		PF00856
(SET) 		9 LYS A2150
GLY A2151
TRP A2152
ASP A2192
TYR A2194
ASN A2217
TYR A2255
GLN A2266
ILE A2279
 None
SAM  A   7 (-3.4A)
None
SAM  A   7 (-3.9A)
SAM  A   7 (-3.4A)
SAM  A   7 (-3.9A)
None
SAM  A   7 (-2.9A)
None
 0.72A 3opeB-3opeA:
30.1		 3opeB-3opeA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4fmu HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD2

(Homo sapiens) 		PF00856
(SET) 		6 LYS A1560
GLY A1561
TRP A1562
TYR A1605
ASN A1628
GLN A1676
 None
0UM  A1804 (-3.5A)
None
0UM  A1804 (-4.2A)
0UM  A1804 (-3.3A)
0UM  A1804 (-3.3A)
 0.79A 3opeB-4fmuA:
23.2		 3opeB-4fmuA:
36.63
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.
4qeo HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-9 SPECIFIC
SUVH4

(Arabidopsis
thaliana) 		PF00856
(SET)
PF02182
(SAD_SRA)
PF05033
(Pre-SET) 		5 GLY A 457
TRP A 458
TYR A 493
ASN A 551
TYR A 593
 SAH  A 801 (-3.6A)
SAH  A 801 (-4.9A)
SAH  A 801 (-4.0A)
SAH  A 801 (-3.2A)
None
 0.45A 3opeB-4qeoA:
16.6		 3opeB-4qeoA:
17.34
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.
4qeo HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-9 SPECIFIC
SUVH4

(Arabidopsis
thaliana) 		PF00856
(SET)
PF02182
(SAD_SRA)
PF05033
(Pre-SET) 		5 LYS A 456
GLY A 457
TRP A 458
TYR A 493
ASN A 551
 SAH  A 801 (-4.7A)
SAH  A 801 (-3.6A)
SAH  A 801 (-4.9A)
SAH  A 801 (-4.0A)
SAH  A 801 (-3.2A)
 0.91A 3opeB-4qeoA:
16.6		 3opeB-4qeoA:
17.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5lsu HISTONE-LYSINE
N-METHYLTRANSFERASE
NSD2

(Homo sapiens) 		PF00856
(SET) 		5 GLY A1074
TRP A1075
TYR A1118
ASN A1141
TYR A1179
 SAM  A1304 ( 3.2A)
None
SAM  A1304 (-3.8A)
SAM  A1304 (-2.9A)
SAM  A1304 (-4.1A)
 0.47A 3opeB-5lsuA:
25.2		 3opeB-5lsuA:
36.19
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.
5teg N-LYSINE
METHYLTRANSFERASE
KMT5A

(Homo sapiens) 		PF00856
(SET) 		5 LYS A 226
GLY A 227
TYR A 271
ASN A 298
TYR A 336
 SAM  A 401 (-4.6A)
SAM  A 401 ( 4.0A)
SAM  A 401 (-4.1A)
SAM  A 401 (-3.2A)
SAM  A 401 (-4.8A)
 0.91A 3opeB-5tegA:
14.8		 3opeB-5tegA:
22.87
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.
5tuy HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT2

(Homo sapiens) 		PF00856
(SET)
PF05033
(Pre-SET) 		5 GLY A1049
TRP A1050
TYR A1085
ASN A1112
TYR A1154
 SAM  A1505 ( 3.9A)
None
SAM  A1505 (-4.0A)
SAM  A1505 (-3.4A)
SAM  A1505 (-4.9A)
 0.46A 3opeB-5tuyA:
17.5		 3opeB-5tuyA:
28.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vsd HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT1

(Homo sapiens) 		PF00856
(SET)
PF05033
(Pre-SET) 		5 GLY A1137
TRP A1138
TYR A1173
ASN A1200
TYR A1242
 SAM  A3001 (-3.6A)
None
SAM  A3001 (-4.0A)
SAM  A3001 (-3.4A)
SAM  A3001 (-4.8A)
 0.46A 3opeB-5vsdA:
17.5		 3opeB-5vsdA:
29.30
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.
5yf0 -

(-) 		no annotation 5 GLY A 294
TRP A 230
TYR A 324
ASN A 228
ILE A 331
 None
None
None
SAM  A 505 (-3.7A)
None
 1.43A 3opeB-5yf0A:
undetectable		 3opeB-5yf0A:
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.
6c8s LOGANIC ACID
O-METHYLTRANSFERASE

(Catharanthus
roseus) 		no annotation 5 LYS A  39
GLY A  40
ASN A  83
TYR A  31
GLN A 316
 None
None
SAH  A 401 (-3.8A)
SAH  A 401 (-4.5A)
None
 1.37A 3opeB-6c8sA:
undetectable		 3opeB-6c8sA:
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.
6cen HISTONE-LYSINE
N-METHYLTRANSFERASE
NSD3

(Homo sapiens) 		no annotation 5 GLY A1156
TRP A1157
TYR A1200
ASN A1223
TYR A1261
 SAM  A1301 (-3.6A)
None
SAM  A1301 (-3.9A)
SAM  A1301 (-3.2A)
SAM  A1301 (-4.9A)
 0.48A 3opeB-6cenA:
23.9		 3opeB-6cenA:
undetectable