SIMILAR PATTERNS OF AMINO ACIDS FOR 4YNP_A_SAMA2304

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.
1jqp DIPEPTIDYL PEPTIDASE
I

(Rattus
norvegicus) 		PF00112
(Peptidase_C1)
PF08773
(CathepsinC_exc) 		5 ASP A 104
HIS A 103
TYR A  75
HIS A  23
ILE A  28
 None
 1.22A 4ynpA-1jqpA:
undetectable		 4ynpA-1jqpA:
19.18
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.
1oa4 ENDO-BETA-1,4-GLUCAN
ASE

(Streptomyces
sp. 11AG8) 		PF01670
(Glyco_hydro_12) 		5 ASP A  62
TYR A  17
TYR A 103
LYS A 177
ILE A 105
 None
 1.27A 4ynpA-1oa4A:
undetectable		 4ynpA-1oa4A:
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.
1peg HISTONE H3
METHYLTRANSFERASE
DIM-5

(Neurospora
crassa) 		PF00856
(SET)
PF05033
(Pre-SET) 		8 GLY A 160
TRP A 161
ASP A 202
TYR A 204
HIS A 242
TYR A 283
CYH A 306
CYH A 308
 SAH  A 319 ( 4.6A)
SAH  A 319 (-4.8A)
SAH  A 319 (-3.6A)
SAH  A 319 (-4.0A)
SAH  A 319 (-4.3A)
SAH  A 319 (-4.7A)
ZN  A   4 ( 2.3A)
ZN  A   4 (-2.2A)
 0.78A 4ynpA-1pegA:
18.3		 4ynpA-1pegA:
29.18
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.
1peg HISTONE H3
METHYLTRANSFERASE
DIM-5

(Neurospora
crassa) 		PF00856
(SET)
PF05033
(Pre-SET) 		6 GLY A 160
TRP A 161
TYR A 204
HIS A 242
TYR A 283
CYH A 308
 SAH  A 319 ( 4.6A)
SAH  A 319 (-4.8A)
SAH  A 319 (-4.0A)
SAH  A 319 (-4.3A)
SAH  A 319 (-4.7A)
ZN  A   4 (-2.2A)
 1.26A 4ynpA-1pegA:
18.3		 4ynpA-1pegA:
29.18
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.
1peg HISTONE H3
METHYLTRANSFERASE
DIM-5

(Neurospora
crassa) 		PF00856
(SET)
PF05033
(Pre-SET) 		5 GLY A 162
TYR A 204
HIS A 242
TYR A 283
CYH A 308
 None
SAH  A 319 (-4.0A)
SAH  A 319 (-4.3A)
SAH  A 319 (-4.7A)
ZN  A   4 (-2.2A)
 1.19A 4ynpA-1pegA:
18.3		 4ynpA-1pegA:
29.18
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.
1uw0 DNA LIGASE III

(Homo sapiens) 		PF00645
(zf-PARP) 		5 HIS A  52
CYH A  18
LYS A  19
CYH A  21
ILE A  25
 ZN  A1118 (-3.1A)
ZN  A1118 (-2.2A)
None
ZN  A1118 (-2.3A)
None
 1.40A 4ynpA-1uw0A:
undetectable		 4ynpA-1uw0A:
19.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1v9x POLY (ADP-RIBOSE)
POLYMERASE

(Arabidopsis
thaliana) 		PF00645
(zf-PARP) 		5 HIS A  55
CYH A  23
LYS A  24
CYH A  26
ILE A  30
 ZN  A 200 (-3.1A)
ZN  A 200 (-2.3A)
None
ZN  A 200 (-2.3A)
None
 1.37A 4ynpA-1v9xA:
undetectable		 4ynpA-1v9xA:
18.58
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.
2bk8 TITIN HEART ISOFORM
N2-B

(Homo sapiens) 		PF07679
(I-set) 		5 GLY A  38
HIS A   9
TYR A  20
CYH A  74
ILE A   7
 None
 1.05A 4ynpA-2bk8A:
undetectable		 4ynpA-2bk8A:
19.03
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.
2r3a HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV39H2

(Homo sapiens) 		PF00856
(SET)
PF05033
(Pre-SET) 		7 GLY A 151
TRP A 152
TYR A 193
HIS A 220
TYR A 261
CYH A 287
CYH A 289
 SAM  A 304 (-3.5A)
None
SAM  A 304 (-4.2A)
SAM  A 304 (-4.9A)
SAM  A 304 (-4.9A)
ZN  A 300 ( 2.3A)
ZN  A 300 ( 2.3A)
 0.54A 4ynpA-2r3aA:
19.0		 4ynpA-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.
2r3a HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV39H2

(Homo sapiens) 		PF00856
(SET)
PF05033
(Pre-SET) 		6 GLY A 151
TRP A 152
TYR A 193
HIS A 220
TYR A 261
CYH A 289
 SAM  A 304 (-3.5A)
None
SAM  A 304 (-4.2A)
SAM  A 304 (-4.9A)
SAM  A 304 (-4.9A)
ZN  A 300 ( 2.3A)
 1.49A 4ynpA-2r3aA:
19.0		 4ynpA-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.
2r3a HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV39H2

(Homo sapiens) 		PF00856
(SET)
PF05033
(Pre-SET) 		6 GLY A 153
TYR A 193
HIS A 220
TYR A 261
CYH A 287
CYH A 289
 None
SAM  A 304 (-4.2A)
SAM  A 304 (-4.9A)
SAM  A 304 (-4.9A)
ZN  A 300 ( 2.3A)
ZN  A 300 ( 2.3A)
 1.42A 4ynpA-2r3aA:
19.0		 4ynpA-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.
2r3a HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV39H2

(Homo sapiens) 		PF00856
(SET)
PF05033
(Pre-SET) 		5 GLY A 153
TYR A 193
HIS A 220
TYR A 261
CYH A 289
 None
SAM  A 304 (-4.2A)
SAM  A 304 (-4.9A)
SAM  A 304 (-4.9A)
ZN  A 300 ( 2.3A)
 1.19A 4ynpA-2r3aA:
19.0		 4ynpA-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.
2r3a HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV39H2

(Homo sapiens) 		PF00856
(SET)
PF05033
(Pre-SET) 		6 TYR A 193
HIS A 220
TYR A 261
CYH A 287
LYS A 288
CYH A 289
 SAM  A 304 (-4.2A)
SAM  A 304 (-4.9A)
SAM  A 304 (-4.9A)
ZN  A 300 ( 2.3A)
None
ZN  A 300 ( 2.3A)
 0.86A 4ynpA-2r3aA:
19.0		 4ynpA-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.
2w5z HISTONE-LYSINE
N-METHYLTRANSFERASE
HRX

(Homo sapiens) 		PF00856
(SET) 		5 GLY A3840
TYR A3883
HIS A3907
TYR A3944
CYH A3957
 SAH  A4971 ( 3.7A)
None
SAH  A4971 (-4.7A)
SAH  A4971 (-4.9A)
ZN  A4970 ( 2.3A)
 1.45A 4ynpA-2w5zA:
14.7		 4ynpA-2w5zA:
27.19
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.
2w5z HISTONE-LYSINE
N-METHYLTRANSFERASE
HRX

(Homo sapiens) 		PF00856
(SET) 		6 GLY A3840
TYR A3883
HIS A3907
TYR A3944
CYH A3957
CYH A3959
 SAH  A4971 ( 3.7A)
None
SAH  A4971 (-4.7A)
SAH  A4971 (-4.9A)
ZN  A4970 ( 2.3A)
ZN  A4970 (-2.3A)
 0.55A 4ynpA-2w5zA:
14.7		 4ynpA-2w5zA:
27.19
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.
2w5z HISTONE-LYSINE
N-METHYLTRANSFERASE
HRX

(Homo sapiens) 		PF00856
(SET) 		5 GLY A3842
TYR A3883
HIS A3907
TYR A3944
CYH A3959
 None
None
SAH  A4971 (-4.7A)
SAH  A4971 (-4.9A)
ZN  A4970 (-2.3A)
 1.34A 4ynpA-2w5zA:
14.7		 4ynpA-2w5zA:
27.19
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.
3a71 EXO-ARABINANASE

(Penicillium
chrysogenum) 		no annotation 5 LYS A 183
GLY A 182
TYR A 109
HIS A 203
TYR A 187
 None
 1.49A 4ynpA-3a71A:
undetectable		 4ynpA-3a71A:
20.24
Potential target for repurposing, i.e. matched protein structure has less than 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) 		6 GLY A 138
TYR A 178
HIS A 210
TYR A 248
CYH A 273
CYH A 275
 None
SAH  A 305 (-4.0A)
None
SAH  A 305 (-4.9A)
ZN  A 304 ( 2.3A)
ZN  A 304 ( 2.3A)
 1.31A 4ynpA-3bo5A:
19.9		 4ynpA-3bo5A:
28.38
Potential target for repurposing, i.e. matched protein structure has less than 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 138
TYR A 178
HIS A 210
TYR A 248
CYH A 275
 None
SAH  A 305 (-4.0A)
None
SAH  A 305 (-4.9A)
ZN  A 304 ( 2.3A)
 1.00A 4ynpA-3bo5A:
19.9		 4ynpA-3bo5A:
28.38
Potential target for repurposing, i.e. matched protein structure has less than 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) 		8 LYS A 135
GLY A 136
TRP A 137
TYR A 178
HIS A 210
TYR A 248
CYH A 273
CYH A 275
 None
SAH  A 305 (-3.8A)
None
SAH  A 305 (-4.0A)
None
SAH  A 305 (-4.9A)
ZN  A 304 ( 2.3A)
ZN  A 304 ( 2.3A)
 0.45A 4ynpA-3bo5A:
19.9		 4ynpA-3bo5A:
28.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3khy PROPIONATE KINASE

(Francisella
tularensis) 		PF00871
(Acetate_kinase) 		5 GLY A  30
TYR A  59
CYH A  40
LYS A  41
ILE A  35
 None
 1.40A 4ynpA-3khyA:
undetectable		 4ynpA-3khyA:
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.
3n71 HISTONE LYSINE
METHYLTRANSFERASE
SMYD1

(Mus musculus) 		PF00856
(SET)
PF01753
(zf-MYND) 		5 GLY A  16
HIS A 206
TYR A 252
CYH A 274
CYH A 276
 None
None
SFG  A 491 (-4.8A)
ZN  A 497 (-2.2A)
ZN  A 497 (-2.5A)
 0.96A 4ynpA-3n71A:
6.0		 4ynpA-3n71A:
17.81
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.
3n71 HISTONE LYSINE
METHYLTRANSFERASE
SMYD1

(Mus musculus) 		PF00856
(SET)
PF01753
(zf-MYND) 		5 LYS A  17
GLY A  16
HIS A 206
TYR A 252
CYH A 274
 SFG  A 491 (-4.7A)
None
None
SFG  A 491 (-4.8A)
ZN  A 497 (-2.2A)
 1.32A 4ynpA-3n71A:
6.0		 4ynpA-3n71A:
17.81
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.
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)
 0.97A 4ynpA-3n71A:
6.0		 4ynpA-3n71A:
17.81
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.
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)
 1.32A 4ynpA-3n71A:
6.0		 4ynpA-3n71A:
17.81
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) 		8 GLY A 102
TRP A 103
TYR A 146
HIS A 170
TYR A 207
CYH A 219
LYS A 220
CYH A 221
 SAM  A 237 ( 3.7A)
None
SAM  A 237 (-4.1A)
SAM  A 237 (-4.7A)
None
ZN  A 232 ( 2.3A)
None
ZN  A 232 (-2.3A)
 0.46A 4ynpA-3ooiA:
26.4		 4ynpA-3ooiA:
41.25
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 104
TYR A 146
HIS A 170
TYR A 207
CYH A 221
 None
SAM  A 237 (-4.1A)
SAM  A 237 (-4.7A)
None
ZN  A 232 (-2.3A)
 0.97A 4ynpA-3ooiA:
26.4		 4ynpA-3ooiA:
41.25
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 104
TYR A 146
HIS A 170
TYR A 207
CYH A 221
 None
SAM  A 237 (-4.1A)
SAM  A 237 (-4.7A)
None
ZN  A 232 (-2.3A)
 1.44A 4ynpA-3ooiA:
26.4		 4ynpA-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) 		7 GLY A2153
TYR A2194
HIS A2218
TYR A2255
CYH A2268
CYH A2270
ILE A2279
 None
SAM  A   7 (-3.4A)
None
None
ZN  A   1 ( 2.5A)
ZN  A   1 (-2.7A)
None
 1.39A 4ynpA-3opeA:
34.1		 4ynpA-3opeA:
97.79
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) 		5 GLY A2153
TYR A2194
HIS A2218
TYR A2255
CYH A2270
 None
SAM  A   7 (-3.4A)
None
None
ZN  A   1 (-2.7A)
 0.93A 4ynpA-3opeA:
34.1		 4ynpA-3opeA:
97.79
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) 		11 LYS A2150
GLY A2151
TRP A2152
ASP A2192
TYR A2194
HIS A2218
TYR A2255
CYH A2268
LYS A2269
CYH A2270
ILE A2279
 None
SAM  A   7 (-3.4A)
None
SAM  A   7 (-3.9A)
SAM  A   7 (-3.4A)
None
None
ZN  A   1 ( 2.5A)
None
ZN  A   1 (-2.7A)
None
 0.51A 4ynpA-3opeA:
34.1		 4ynpA-3opeA:
97.79
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
TYR A2194
HIS A2218
TYR A2255
CYH A2270
 None
SAM  A   7 (-3.4A)
None
SAM  A   7 (-3.4A)
None
None
ZN  A   1 (-2.7A)
 1.42A 4ynpA-3opeA:
34.1		 4ynpA-3opeA:
97.79
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
TRP A2152
HIS A2193
TYR A2194
HIS A2218
TYR A2255
CYH A2268
CYH A2270
ILE A2279
 None
None
None
SAM  A   7 (-3.4A)
None
None
ZN  A   1 ( 2.5A)
ZN  A   1 (-2.7A)
None
 1.11A 4ynpA-3opeA:
34.1		 4ynpA-3opeA:
97.79
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) 		5 GLY A1563
TYR A1605
HIS A1629
CYH A1678
CYH A1680
 None
0UM  A1804 (-4.2A)
None
ZN  A1803 ( 2.2A)
ZN  A1803 (-2.2A)
 1.49A 4ynpA-4fmuA:
25.0		 4ynpA-4fmuA:
37.36
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
TYR A1605
HIS A1629
CYH A1678
CYH A1680
 None
0UM  A1804 (-3.5A)
None
0UM  A1804 (-4.2A)
None
ZN  A1803 ( 2.2A)
ZN  A1803 (-2.2A)
 0.44A 4ynpA-4fmuA:
25.0		 4ynpA-4fmuA:
37.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mwz PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE

(Plasmodium
vivax) 		PF13649
(Methyltransf_25) 		5 GLY A  62
ASP A  58
TYR A 122
LYS A  92
ILE A 101
 SAM  A 301 ( 3.8A)
SAM  A 301 ( 4.6A)
None
None
None
 1.33A 4ynpA-4mwzA:
undetectable		 4ynpA-4mwzA:
21.30
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.
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 612
CYH A 614
 SAH  A 801 (-4.7A)
SAH  A 801 (-3.6A)
SAH  A 801 (-4.9A)
None
None
ZN  A 805 ( 2.4A)
ZN  A 805 ( 2.4A)
 0.51A 4ynpA-4qeoA:
17.2		 4ynpA-4qeoA:
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.
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
TYR A 493
HIS A 552
TYR A 593
CYH A 612
CYH A 614
 SAH  A 801 (-4.7A)
SAH  A 801 (-3.6A)
SAH  A 801 (-4.0A)
None
None
ZN  A 805 ( 2.4A)
ZN  A 805 ( 2.4A)
 0.46A 4ynpA-4qeoA:
17.2		 4ynpA-4qeoA:
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.
4rt6 HEME/HEMOPEXIN-BINDI
NG PROTEIN

(Haemophilus
influenzae) 		PF05860
(Haemagg_act) 		5 GLY A 491
ASP A 511
TYR A 509
LYS A 494
ILE A 580
 None
 1.30A 4ynpA-4rt6A:
undetectable		 4ynpA-4rt6A:
12.60
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.
4z4p HISTONE-LYSINE
N-METHYLTRANSFERASE
2D

(Homo sapiens) 		PF00856
(SET) 		5 GLY A5408
HIS A5539
HIS A5475
CYH A5525
CYH A5527
 SAH  A5602 (-3.6A)
None
None
ZN  A5601 ( 2.2A)
ZN  A5601 ( 2.2A)
 0.95A 4ynpA-4z4pA:
16.7		 4ynpA-4z4pA:
23.21
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.
4z4p HISTONE-LYSINE
N-METHYLTRANSFERASE
2D

(Homo sapiens) 		PF00856
(SET) 		6 GLY A5408
TYR A5451
HIS A5475
TYR A5512
CYH A5525
CYH A5527
 SAH  A5602 (-3.6A)
SAH  A5602 (-4.5A)
None
None
ZN  A5601 ( 2.2A)
ZN  A5601 ( 2.2A)
 0.34A 4ynpA-4z4pA:
16.7		 4ynpA-4z4pA:
23.21
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.
4z4p HISTONE-LYSINE
N-METHYLTRANSFERASE
2D

(Homo sapiens) 		PF00856
(SET) 		5 GLY A5410
TYR A5451
HIS A5475
TYR A5512
CYH A5527
 None
SAH  A5602 (-4.5A)
None
None
ZN  A5601 ( 2.2A)
 1.00A 4ynpA-4z4pA:
16.7		 4ynpA-4z4pA:
23.21
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.
5f59 HISTONE-LYSINE
N-METHYLTRANSFERASE
2C

(Homo sapiens) 		PF00856
(SET) 		6 GLY A4782
TYR A4825
HIS A4849
TYR A4886
CYH A4899
CYH A4901
 SAH  A5002 (-3.5A)
SAH  A5002 (-4.5A)
SAH  A5002 (-4.6A)
None
ZN  A5001 ( 2.0A)
ZN  A5001 (-2.3A)
 0.50A 4ynpA-5f59A:
16.2		 4ynpA-5f59A:
24.34
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.
5f59 HISTONE-LYSINE
N-METHYLTRANSFERASE
2C

(Homo sapiens) 		PF00856
(SET) 		5 GLY A4784
TYR A4825
HIS A4849
TYR A4886
CYH A4901
 None
SAH  A5002 (-4.5A)
SAH  A5002 (-4.6A)
None
ZN  A5001 (-2.3A)
 1.47A 4ynpA-5f59A:
16.2		 4ynpA-5f59A:
24.34
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.
5f6l HISTONE-LYSINE
N-METHYLTRANSFERASE
2A

(Homo sapiens) 		PF00856
(SET) 		6 GLY A3840
TYR A3883
HIS A3907
TYR A3944
CYH A3957
CYH A3959
 SAH  A4001 (-3.4A)
None
SAH  A4001 (-4.9A)
SAH  A4001 (-4.9A)
ZN  A4002 ( 2.3A)
ZN  A4002 (-2.3A)
 0.45A 4ynpA-5f6lA:
16.3		 4ynpA-5f6lA:
24.66
Potential target for repurposing, i.e. matched protein structure has less than 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 GLY A  16
HIS A 207
TYR A 240
CYH A 262
CYH A 264
 None
None
6TM  A 502 ( 3.6A)
ZN  A 505 (-2.3A)
ZN  A 505 (-2.4A)
 1.03A 4ynpA-5kjmA:
6.5		 4ynpA-5kjmA:
20.23
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.
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)
 1.17A 4ynpA-5kjmA:
6.5		 4ynpA-5kjmA:
20.23
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.
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)
 1.37A 4ynpA-5kjmA:
6.5		 4ynpA-5kjmA:
20.23
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) 		7 GLY A1074
TRP A1075
TYR A1118
HIS A1142
TYR A1179
CYH A1191
CYH A1193
 SAM  A1304 ( 3.2A)
None
SAM  A1304 (-3.8A)
SAM  A1304 (-4.6A)
SAM  A1304 (-4.1A)
ZN  A1301 ( 2.3A)
ZN  A1301 (-2.3A)
 0.39A 4ynpA-5lsuA:
27.2		 4ynpA-5lsuA:
36.58
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) 		6 GLY A1074
TRP A1075
TYR A1118
HIS A1142
TYR A1179
CYH A1193
 SAM  A1304 ( 3.2A)
None
SAM  A1304 (-3.8A)
SAM  A1304 (-4.6A)
SAM  A1304 (-4.1A)
ZN  A1301 (-2.3A)
 1.37A 4ynpA-5lsuA:
27.2		 4ynpA-5lsuA:
36.58
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 A1076
TYR A1118
HIS A1142
TYR A1179
CYH A1193
 SAM  A1304 ( 4.6A)
SAM  A1304 (-3.8A)
SAM  A1304 (-4.6A)
SAM  A1304 (-4.1A)
ZN  A1301 (-2.3A)
 0.99A 4ynpA-5lsuA:
27.2		 4ynpA-5lsuA:
36.58
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.
5teg N-LYSINE
METHYLTRANSFERASE
KMT5A

(Homo sapiens) 		PF00856
(SET) 		5 LYS A 226
GLY A 227
TYR A 271
HIS A 299
TYR A 336
 SAM  A 401 (-4.6A)
SAM  A 401 ( 4.0A)
SAM  A 401 (-4.1A)
None
SAM  A 401 (-4.8A)
 0.44A 4ynpA-5tegA:
14.2		 4ynpA-5tegA:
22.12
Potential target for repurposing, i.e. matched protein structure has less than 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) 		7 GLY A1049
TRP A1050
TYR A1085
HIS A1113
TYR A1154
CYH A1168
CYH A1170
 SAM  A1505 ( 3.9A)
None
SAM  A1505 (-4.0A)
SAM  A1505 (-4.7A)
SAM  A1505 (-4.9A)
ZN  A1504 (-2.2A)
ZN  A1504 (-2.2A)
 0.47A 4ynpA-5tuyA:
18.0		 4ynpA-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.
5tuy HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT2

(Homo sapiens) 		PF00856
(SET)
PF05033
(Pre-SET) 		6 GLY A1049
TRP A1050
TYR A1085
HIS A1113
TYR A1154
CYH A1170
 SAM  A1505 ( 3.9A)
None
SAM  A1505 (-4.0A)
SAM  A1505 (-4.7A)
SAM  A1505 (-4.9A)
ZN  A1504 (-2.2A)
 1.39A 4ynpA-5tuyA:
18.0		 4ynpA-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.
5tuy HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT2

(Homo sapiens) 		PF00856
(SET)
PF05033
(Pre-SET) 		5 GLY A1051
TYR A1085
HIS A1113
TYR A1154
CYH A1170
 None
SAM  A1505 (-4.0A)
SAM  A1505 (-4.7A)
SAM  A1505 (-4.9A)
ZN  A1504 (-2.2A)
 1.09A 4ynpA-5tuyA:
18.0		 4ynpA-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.
5tuy HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT2

(Homo sapiens) 		PF00856
(SET)
PF05033
(Pre-SET) 		5 GLY A1051
TYR A1085
HIS A1113
TYR A1154
CYH A1170
 None
SAM  A1505 (-4.0A)
SAM  A1505 (-4.7A)
SAM  A1505 (-4.9A)
ZN  A1504 (-2.2A)
 1.46A 4ynpA-5tuyA:
18.0		 4ynpA-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) 		7 GLY A1137
TRP A1138
TYR A1173
HIS A1201
TYR A1242
CYH A1256
CYH A1258
 SAM  A3001 (-3.6A)
None
SAM  A3001 (-4.0A)
SAM  A3001 (-4.6A)
SAM  A3001 (-4.8A)
ZN  A3005 ( 2.4A)
ZN  A3005 (-2.3A)
 0.55A 4ynpA-5vsdA:
18.1		 4ynpA-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.
5vsd HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT1

(Homo sapiens) 		PF00856
(SET)
PF05033
(Pre-SET) 		6 GLY A1137
TRP A1138
TYR A1173
HIS A1201
TYR A1242
CYH A1258
 SAM  A3001 (-3.6A)
None
SAM  A3001 (-4.0A)
SAM  A3001 (-4.6A)
SAM  A3001 (-4.8A)
ZN  A3005 (-2.3A)
 1.35A 4ynpA-5vsdA:
18.1		 4ynpA-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.
5vsd HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT1

(Homo sapiens) 		PF00856
(SET)
PF05033
(Pre-SET) 		5 GLY A1139
TYR A1173
HIS A1201
TYR A1242
CYH A1258
 None
SAM  A3001 (-4.0A)
SAM  A3001 (-4.6A)
SAM  A3001 (-4.8A)
ZN  A3005 (-2.3A)
 1.03A 4ynpA-5vsdA:
18.1		 4ynpA-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.
5vsd HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT1

(Homo sapiens) 		PF00856
(SET)
PF05033
(Pre-SET) 		5 GLY A1139
TYR A1173
HIS A1201
TYR A1242
CYH A1258
 None
SAM  A3001 (-4.0A)
SAM  A3001 (-4.6A)
SAM  A3001 (-4.8A)
ZN  A3005 (-2.3A)
 1.43A 4ynpA-5vsdA:
18.1		 4ynpA-5vsdA:
29.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6cen HISTONE-LYSINE
N-METHYLTRANSFERASE
NSD3

(Homo sapiens) 		no annotation 7 GLY A1156
TRP A1157
TYR A1200
HIS A1224
TYR A1261
CYH A1273
CYH A1275
 SAM  A1301 (-3.6A)
None
SAM  A1301 (-3.9A)
None
SAM  A1301 (-4.9A)
ZN  A1304 ( 2.3A)
ZN  A1304 (-2.3A)
 0.38A 4ynpA-6cenA:
26.1		 4ynpA-6cenA:
41.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6cen HISTONE-LYSINE
N-METHYLTRANSFERASE
NSD3

(Homo sapiens) 		no annotation 6 GLY A1156
TRP A1157
TYR A1200
HIS A1224
TYR A1261
CYH A1275
 SAM  A1301 (-3.6A)
None
SAM  A1301 (-3.9A)
None
SAM  A1301 (-4.9A)
ZN  A1304 (-2.3A)
 1.48A 4ynpA-6cenA:
26.1		 4ynpA-6cenA:
41.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6cen HISTONE-LYSINE
N-METHYLTRANSFERASE
NSD3

(Homo sapiens) 		no annotation 6 GLY A1158
TYR A1200
HIS A1224
TYR A1261
CYH A1273
CYH A1275
 None
SAM  A1301 (-3.9A)
None
SAM  A1301 (-4.9A)
ZN  A1304 ( 2.3A)
ZN  A1304 (-2.3A)
 1.37A 4ynpA-6cenA:
26.1		 4ynpA-6cenA:
41.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6cen HISTONE-LYSINE
N-METHYLTRANSFERASE
NSD3

(Homo sapiens) 		no annotation 5 GLY A1158
TYR A1200
HIS A1224
TYR A1261
CYH A1275
 None
SAM  A1301 (-3.9A)
None
SAM  A1301 (-4.9A)
ZN  A1304 (-2.3A)
 1.05A 4ynpA-6cenA:
26.1		 4ynpA-6cenA:
41.03