SIMILAR PATTERNS OF AMINO ACIDS FOR 6BP4_A_SAMA505_0

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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1peg HISTONE H3
METHYLTRANSFERASE
DIM-5

(Neurospora
crassa) 		PF00856
(SET)
PF05033
(Pre-SET) 		7 GLY A 160
TRP A 161
ARG A 238
HIS A 242
TYR A 283
CYH A 308
LEU A 317
 SAH  A 319 ( 4.6A)
SAH  A 319 (-4.8A)
SAH  A 319 (-3.6A)
SAH  A 319 (-4.3A)
SAH  A 319 (-4.7A)
ZN  A   4 (-2.2A)
SAH  A 319 (-3.9A)
 0.91A 6bp4A-1pegA:
28.3		 6bp4A-1pegA:
37.76
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.
1r5j PUTATIVE
PHOSPHOTRANSACETYLAS
E

(Streptococcus
pyogenes) 		PF01515
(PTA_PTB) 		5 GLY A  50
THR A  70
TYR A  69
ARG A  56
LEU A  59
 None
 1.38A 6bp4A-1r5jA:
undetectable		 6bp4A-1r5jA:
25.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1v9p DNA LIGASE

(Thermus
filiformis) 		PF01653
(DNA_ligase_aden)
PF03120
(DNA_ligase_OB)
PF12826
(HHH_2)
PF14520
(HHH_5) 		5 GLY A 145
THR A  72
ARG A  74
ARG A 209
LEU A 208
 None
 1.47A 6bp4A-1v9pA:
undetectable		 6bp4A-1v9pA:
18.52
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.
2fk9 PROTEIN KINASE C,
ETA TYPE

(Homo sapiens) 		PF00168
(C2) 		5 GLY A  21
THR A  67
TYR A  68
CYH A 101
LEU A  45
 None
 1.45A 6bp4A-2fk9A:
undetectable		 6bp4A-2fk9A:
16.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2r3a HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV39H2

(Homo sapiens) 		PF00856
(SET)
PF05033
(Pre-SET) 		7 GLY A 151
TRP A 152
HIS A 220
TYR A 261
LYS A 288
CYH A 289
LEU A 298
 SAM  A 304 (-3.5A)
None
SAM  A 304 (-4.9A)
SAM  A 304 (-4.9A)
None
ZN  A 300 ( 2.3A)
SAM  A 304 (-4.7A)
 0.89A 6bp4A-2r3aA:
29.0		 6bp4A-2r3aA:
38.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2w5z HISTONE-LYSINE
N-METHYLTRANSFERASE
HRX

(Homo sapiens) 		PF00856
(SET) 		5 GLY A3840
HIS A3907
TYR A3944
CYH A3959
LEU A3968
 SAH  A4971 ( 3.7A)
SAH  A4971 (-4.7A)
SAH  A4971 (-4.9A)
ZN  A4970 (-2.3A)
SAH  A4971 ( 4.9A)
 0.66A 6bp4A-2w5zA:
11.5		 6bp4A-2w5zA:
30.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3bo5 HISTONE-LYSINE
N-METHYLTRANSFERASE
SETMAR

(Homo sapiens) 		PF00856
(SET)
PF05033
(Pre-SET) 		8 LYS A 135
GLY A 136
TRP A 137
ARG A 206
HIS A 210
TYR A 248
CYH A 275
LEU A 284
 None
SAH  A 305 (-3.8A)
None
None
None
SAH  A 305 (-4.9A)
ZN  A 304 ( 2.3A)
SAH  A 305 (-4.5A)
 0.74A 6bp4A-3bo5A:
25.2		 6bp4A-3bo5A:
32.92
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.
3hym CELL DIVISION CYCLE
PROTEIN 16 HOMOLOG

(Homo sapiens) 		PF13424
(TPR_12) 		5 GLY B 334
TYR B 242
HIS B 368
TYR B 243
LEU B 369
 None
 1.38A 6bp4A-3hymB:
undetectable		 6bp4A-3hymB:
22.97
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.
3n2z LYSOSOMAL PRO-X
CARBOXYPEPTIDASE

(Homo sapiens) 		PF05577
(Peptidase_S28) 		5 GLY B 104
TRP B 107
TYR B 291
TYR B 293
LEU B 457
 None
 1.50A 6bp4A-3n2zB:
undetectable		 6bp4A-3n2zB:
18.89
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.
3n71 HISTONE LYSINE
METHYLTRANSFERASE
SMYD1

(Mus musculus) 		PF00856
(SET)
PF01753
(zf-MYND) 		5 LYS A  17
GLY A  18
HIS A 206
TYR A 252
CYH A 274
 SFG  A 491 (-4.7A)
SFG  A 491 ( 4.2A)
None
SFG  A 491 (-4.8A)
ZN  A 497 (-2.2A)
 1.35A 6bp4A-3n71A:
5.4		 6bp4A-3n71A:
18.61
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.
3ogk CORONATINE-INSENSITI
VE PROTEIN 1

(Arabidopsis
thaliana) 		no annotation 5 GLY B  98
THR B  62
TYR B 571
TYR B 517
LEU B 569
 None
 1.39A 6bp4A-3ogkB:
undetectable		 6bp4A-3ogkB:
19.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ooi HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-36 AND H4
LYSINE-20 SPECIFIC

(Homo sapiens) 		PF00856
(SET) 		5 GLY A 102
HIS A 170
LYS A 220
CYH A 221
LEU A 230
 SAM  A 237 ( 3.7A)
SAM  A 237 (-4.7A)
None
ZN  A 232 (-2.3A)
SAM  A 237 (-4.8A)
 0.85A 6bp4A-3ooiA:
18.8		 6bp4A-3ooiA:
27.57
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.
3ooi HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-36 AND H4
LYSINE-20 SPECIFIC

(Homo sapiens) 		PF00856
(SET) 		5 GLY A 102
HIS A 170
TYR A 207
LYS A 220
CYH A 221
 SAM  A 237 ( 3.7A)
SAM  A 237 (-4.7A)
None
None
ZN  A 232 (-2.3A)
 0.63A 6bp4A-3ooiA:
18.8		 6bp4A-3ooiA:
27.57
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.
3ooi HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-36 AND H4
LYSINE-20 SPECIFIC

(Homo sapiens) 		PF00856
(SET) 		6 GLY A 102
TRP A 103
ARG A 166
HIS A 170
CYH A 221
LEU A 230
 SAM  A 237 ( 3.7A)
None
None
SAM  A 237 (-4.7A)
ZN  A 232 (-2.3A)
SAM  A 237 (-4.8A)
 0.84A 6bp4A-3ooiA:
18.8		 6bp4A-3ooiA:
27.57
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.
3ooi HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-36 AND H4
LYSINE-20 SPECIFIC

(Homo sapiens) 		PF00856
(SET) 		6 GLY A 102
TRP A 103
ARG A 166
HIS A 170
TYR A 207
CYH A 221
 SAM  A 237 ( 3.7A)
None
None
SAM  A 237 (-4.7A)
None
ZN  A 232 (-2.3A)
 0.63A 6bp4A-3ooiA:
18.8		 6bp4A-3ooiA:
27.57
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) 		7 LYS A2150
GLY A2151
TRP A2152
HIS A2218
TYR A2255
LYS A2269
CYH A2270
 None
SAM  A   7 (-3.4A)
None
None
None
None
ZN  A   1 (-2.7A)
 0.68A 6bp4A-3opeA:
17.7		 6bp4A-3opeA:
30.07
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) 		6 LYS A2150
TRP A2152
ARG A2214
HIS A2218
TYR A2255
CYH A2270
 None
None
None
None
None
ZN  A   1 (-2.7A)
 0.87A 6bp4A-3opeA:
17.7		 6bp4A-3opeA:
30.07
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.
3v0w WN1 222-5 FAB
(IGG2A) HEAVY CHAIN
WN1 222-5 FAB
(IGG2A) LIGHT CHAIN

(Mus musculus;
Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set)
PF07654
(C1-set)
PF07686
(V-set) 		5 GLY H  98
ARG H  94
TYR L  36
ARG L  96
LEU L  89
 GMH  H 307 (-4.1A)
SO4  H 314 (-3.2A)
None
None
None
 1.40A 6bp4A-3v0wH:
undetectable		 6bp4A-3v0wH:
21.05
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) 		7 LYS A1560
GLY A1561
TRP A1562
ARG A1625
HIS A1629
CYH A1680
LEU A1689
 None
0UM  A1804 (-3.5A)
None
0UM  A1804 (-4.9A)
None
ZN  A1803 (-2.2A)
0UM  A1804 (-4.8A)
 0.80A 6bp4A-4fmuA:
17.3		 6bp4A-4fmuA:
30.97
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.
4qeo HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-9 SPECIFIC
SUVH4

(Arabidopsis
thaliana) 		PF00856
(SET)
PF02182
(SAD_SRA)
PF05033
(Pre-SET) 		7 LYS A 456
GLY A 457
ARG A 548
HIS A 552
TYR A 593
CYH A 614
LEU A 623
 SAH  A 801 (-4.7A)
SAH  A 801 (-3.6A)
SAH  A 801 (-4.8A)
None
None
ZN  A 805 ( 2.4A)
None
 0.72A 6bp4A-4qeoA:
27.2		 6bp4A-4qeoA:
24.08
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.
4qeo HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-9 SPECIFIC
SUVH4

(Arabidopsis
thaliana) 		PF00856
(SET)
PF02182
(SAD_SRA)
PF05033
(Pre-SET) 		7 LYS A 456
GLY A 457
TRP A 458
HIS A 552
TYR A 593
CYH A 614
LEU A 623
 SAH  A 801 (-4.7A)
SAH  A 801 (-3.6A)
SAH  A 801 (-4.9A)
None
None
ZN  A 805 ( 2.4A)
None
 0.56A 6bp4A-4qeoA:
27.2		 6bp4A-4qeoA:
24.08
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.
5f6l HISTONE-LYSINE
N-METHYLTRANSFERASE
2A

(Homo sapiens) 		PF00856
(SET) 		5 GLY A3840
HIS A3907
TYR A3944
CYH A3959
LEU A3968
 SAH  A4001 (-3.4A)
SAH  A4001 (-4.9A)
SAH  A4001 (-4.9A)
ZN  A4002 (-2.3A)
None
 0.71A 6bp4A-5f6lA:
12.4		 6bp4A-5f6lA:
26.33
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.
5kjm N-LYSINE
METHYLTRANSFERASE
SMYD2

(Homo sapiens) 		PF00856
(SET)
PF01753
(zf-MYND) 		5 LYS A  17
GLY A  18
HIS A 207
TYR A 240
CYH A 262
 None
SAM  A 501 ( 4.1A)
None
6TM  A 502 ( 3.6A)
ZN  A 505 (-2.3A)
 1.42A 6bp4A-5kjmA:
5.6		 6bp4A-5kjmA:
19.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lsu HISTONE-LYSINE
N-METHYLTRANSFERASE
NSD2

(Homo sapiens) 		PF00856
(SET) 		7 GLY A1074
TRP A1075
ARG A1138
HIS A1142
TYR A1179
CYH A1193
LEU A1202
 SAM  A1304 ( 3.2A)
None
SAM  A1304 (-4.8A)
SAM  A1304 (-4.6A)
SAM  A1304 (-4.1A)
ZN  A1301 (-2.3A)
SAM  A1304 ( 4.7A)
 0.77A 6bp4A-5lsuA:
19.5		 6bp4A-5lsuA:
29.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5tuy HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT2

(Homo sapiens) 		PF00856
(SET)
PF05033
(Pre-SET) 		6 GLY A1049
TRP A1050
ARG A1109
HIS A1113
TYR A1154
CYH A1170
 SAM  A1505 ( 3.9A)
None
None
SAM  A1505 (-4.7A)
SAM  A1505 (-4.9A)
ZN  A1504 (-2.2A)
 0.74A 6bp4A-5tuyA:
27.5		 6bp4A-5tuyA:
35.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5vsd HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT1

(Homo sapiens) 		PF00856
(SET)
PF05033
(Pre-SET) 		6 GLY A1137
TRP A1138
ARG A1197
HIS A1201
TYR A1242
CYH A1258
 SAM  A3001 (-3.6A)
None
None
SAM  A3001 (-4.6A)
SAM  A3001 (-4.8A)
ZN  A3005 (-2.3A)
 0.75A 6bp4A-5vsdA:
26.8		 6bp4A-5vsdA:
35.92
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.
6cen HISTONE-LYSINE
N-METHYLTRANSFERASE
NSD3

(Homo sapiens) 		no annotation 6 GLY A1156
TRP A1157
ARG A1220
HIS A1224
TYR A1261
CYH A1273
 SAM  A1301 (-3.6A)
None
None
None
SAM  A1301 (-4.9A)
ZN  A1304 ( 2.3A)
 1.48A 6bp4A-6cenA:
19.0		 6bp4A-6cenA:
27.42
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.
6cen HISTONE-LYSINE
N-METHYLTRANSFERASE
NSD3

(Homo sapiens) 		no annotation 7 GLY A1156
TRP A1157
ARG A1220
HIS A1224
TYR A1261
CYH A1275
LEU A1284
 SAM  A1301 (-3.6A)
None
None
None
SAM  A1301 (-4.9A)
ZN  A1304 (-2.3A)
SAM  A1301 (-4.6A)
 0.64A 6bp4A-6cenA:
19.0		 6bp4A-6cenA:
27.42