SIMILAR PATTERNS OF AMINO ACIDS FOR 6INE_A_SAMA2304_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
Potential target for repurposing, i.e. matched protein structure has less than 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
ASN A 241
HIS A 242
TYR A 283
CYH A 308
 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)
 1.19A 6ineA-1pegA:
17.7		 6ineA-1pegA:
29.58
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.
1peg HISTONE H3
METHYLTRANSFERASE
DIM-5

(Neurospora
crassa) 		PF00856
(SET)
PF05033
(Pre-SET) 		8 GLY A 160
TRP A 161
ASP A 202
ASN A 241
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 (-3.6A)
SAH  A 319 (-4.3A)
SAH  A 319 (-4.7A)
ZN  A   4 ( 2.3A)
ZN  A   4 (-2.2A)
 0.50A 6ineA-1pegA:
17.7		 6ineA-1pegA:
29.58
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.
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
 1.45A 6ineA-1v9xA:
undetectable		 6ineA-1v9xA:
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.
2p2m ACETYL-COENZYME A
SYNTHETASE

(Salmonella
enterica) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C)
PF16177
(ACAS_N) 		5 GLY A 387
TRP A 414
ASP A 411
TYR A 398
ILE A 361
 PRX  A 998 (-3.4A)
PRX  A 998 (-3.4A)
PRX  A 998 (-3.6A)
None
None
 1.46A 6ineA-2p2mA:
undetectable		 6ineA-2p2mA:
16.24
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.
2r3a HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV39H2

(Homo sapiens) 		PF00856
(SET)
PF05033
(Pre-SET) 		6 ASN A 219
HIS A 220
TYR A 261
CYH A 287
LYS A 288
CYH A 289
 SAM  A 304 (-3.3A)
SAM  A 304 (-4.9A)
SAM  A 304 (-4.9A)
ZN  A 300 ( 2.3A)
None
ZN  A 300 ( 2.3A)
 0.83A 6ineA-2r3aA:
17.7		 6ineA-2r3aA:
29.49
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.
2r3a HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV39H2

(Homo sapiens) 		PF00856
(SET)
PF05033
(Pre-SET) 		6 GLY A 151
TRP A 152
ASN A 219
HIS A 220
TYR A 261
CYH A 287
 SAM  A 304 (-3.5A)
None
SAM  A 304 (-3.3A)
SAM  A 304 (-4.9A)
SAM  A 304 (-4.9A)
ZN  A 300 ( 2.3A)
 1.19A 6ineA-2r3aA:
17.7		 6ineA-2r3aA:
29.49
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.
2r3a HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV39H2

(Homo sapiens) 		PF00856
(SET)
PF05033
(Pre-SET) 		7 GLY A 151
TRP A 152
ASN A 219
HIS A 220
TYR A 261
CYH A 287
CYH A 289
 SAM  A 304 (-3.5A)
None
SAM  A 304 (-3.3A)
SAM  A 304 (-4.9A)
SAM  A 304 (-4.9A)
ZN  A 300 ( 2.3A)
ZN  A 300 ( 2.3A)
 0.24A 6ineA-2r3aA:
17.7		 6ineA-2r3aA:
29.49
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.
2w5z HISTONE-LYSINE
N-METHYLTRANSFERASE
HRX

(Homo sapiens) 		PF00856
(SET) 		6 GLY A3840
ASN A3906
HIS A3907
TYR A3944
CYH A3957
CYH A3959
 SAH  A4971 ( 3.7A)
SAH  A4971 (-3.1A)
SAH  A4971 (-4.7A)
SAH  A4971 (-4.9A)
ZN  A4970 ( 2.3A)
ZN  A4970 (-2.3A)
 0.25A 6ineA-2w5zA:
13.5		 6ineA-2w5zA:
26.42
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.
3bo5 HISTONE-LYSINE
N-METHYLTRANSFERASE
SETMAR

(Homo sapiens) 		PF00856
(SET)
PF05033
(Pre-SET) 		6 LYS A 135
GLY A 136
TRP A 137
ASN A 209
HIS A 210
CYH A 273
 None
SAH  A 305 (-3.8A)
None
SAH  A 305 (-3.4A)
None
ZN  A 304 ( 2.3A)
 1.31A 6ineA-3bo5A:
18.0		 6ineA-3bo5A:
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) 		8 LYS A 135
GLY A 136
TRP A 137
ASN A 209
HIS A 210
TYR A 248
CYH A 273
CYH A 275
 None
SAH  A 305 (-3.8A)
None
SAH  A 305 (-3.4A)
None
SAH  A 305 (-4.9A)
ZN  A 304 ( 2.3A)
ZN  A 304 ( 2.3A)
 0.48A 6ineA-3bo5A:
18.0		 6ineA-3bo5A:
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.
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)
 0.92A 6ineA-3n71A:
5.8		 6ineA-3n71A:
19.44
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.
3n71 HISTONE LYSINE
METHYLTRANSFERASE
SMYD1

(Mus musculus) 		PF00856
(SET)
PF01753
(zf-MYND) 		5 GLY A  18
ASN A 205
HIS A 206
TYR A 252
CYH A 274
 SFG  A 491 ( 4.2A)
SFG  A 491 (-3.3A)
None
SFG  A 491 (-4.8A)
ZN  A 497 (-2.2A)
 0.39A 6ineA-3n71A:
5.8		 6ineA-3n71A:
19.44
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.
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)
 1.36A 6ineA-3n71A:
5.8		 6ineA-3n71A:
19.44
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.
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)
 1.00A 6ineA-3n71A:
5.8		 6ineA-3n71A:
19.44
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.
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 6ineA-3n71A:
5.8		 6ineA-3n71A:
19.44
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
ASN A 169
HIS A 170
TYR A 207
CYH A 219
LYS A 220
CYH A 221
 SAM  A 237 ( 3.7A)
None
SAM  A 237 (-3.3A)
SAM  A 237 (-4.7A)
None
ZN  A 232 ( 2.3A)
None
ZN  A 232 (-2.3A)
 0.53A 6ineA-3ooiA:
24.4		 6ineA-3ooiA:
41.42
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
GLY A2151
TRP A2152
ASN A2217
HIS A2218
CYH A2268
 None
SAM  A   7 (-3.4A)
None
SAM  A   7 (-3.9A)
None
ZN  A   1 ( 2.5A)
 1.37A 6ineA-3opeA:
28.9		 6ineA-3opeA:
84.03
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) 		12 LYS A2150
GLY A2151
TRP A2152
ASP A2192
ASN A2217
HIS A2218
TYR A2255
GLN A2266
CYH A2268
LYS A2269
CYH A2270
ILE A2279
 None
SAM  A   7 (-3.4A)
None
SAM  A   7 (-3.9A)
SAM  A   7 (-3.9A)
None
None
SAM  A   7 (-2.9A)
ZN  A   1 ( 2.5A)
None
ZN  A   1 (-2.7A)
None
 0.60A 6ineA-3opeA:
28.9		 6ineA-3opeA:
84.03
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.
4au7 HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H2

(Mus musculus) 		PF00856
(SET) 		5 ASN A 182
HIS A 183
TYR A 217
CYH A 229
CYH A 231
 SAH  A1247 (-3.1A)
SAH  A1247 (-4.6A)
None
ZN  A1248 ( 2.3A)
ZN  A1248 ( 2.2A)
 0.43A 6ineA-4au7A:
7.4		 6ineA-4au7A:
22.73
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) 		8 LYS A1560
GLY A1561
TRP A1562
ASN A1628
HIS A1629
GLN A1676
CYH A1678
CYH A1680
 None
0UM  A1804 (-3.5A)
None
0UM  A1804 (-3.3A)
None
0UM  A1804 (-3.3A)
ZN  A1803 ( 2.2A)
ZN  A1803 (-2.2A)
 0.85A 6ineA-4fmuA:
23.6		 6ineA-4fmuA:
37.94
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.
4j8b COATOMER ALPHA
SUBUNIT

(Schizosaccharomyces
pombe) 		PF00400
(WD40) 		5 GLY A 214
ASP A 233
ASN A 216
CYH A 218
CYH A 142
 None
 1.49A 6ineA-4j8bA:
undetectable		 6ineA-4j8bA:
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.
4mi5 HISTONE-LYSINE
N-METHYLTRANSFERASE
EZH2

(Homo sapiens) 		PF00856
(SET) 		5 GLY A 628
TRP A 629
ASN A 693
HIS A 694
TYR A 731
 None
 0.43A 6ineA-4mi5A:
14.6		 6ineA-4mi5A:
29.89
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) 		8 LYS A 456
GLY A 457
TRP A 458
ASN A 551
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)
SAH  A 801 (-3.2A)
None
None
ZN  A 805 ( 2.4A)
ZN  A 805 ( 2.4A)
 0.30A 6ineA-4qeoA:
16.7		 6ineA-4qeoA:
21.92
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.
4rjz ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN (SUGAR)

(Agrobacterium
fabrum) 		PF01547
(SBP_bac_1) 		5 GLY A 297
ASN A  90
HIS A  93
LYS A 139
ILE A  88
 None
 1.23A 6ineA-4rjzA:
undetectable		 6ineA-4rjzA:
18.25
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.
4w2r ENHANCER OF ZESTE 2
POLYCOMB REPRESSIVE
COMPLEX 2 SUBUNIT

(Anolis
carolinensis) 		no annotation 5 GLY A 520
TRP A 521
ASN A 585
HIS A 586
TYR A 623
 CJD  A 708 (-3.6A)
None
CJD  A 708 (-3.5A)
None
None
 0.36A 6ineA-4w2rA:
20.0		 6ineA-4w2rA:
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.
4z4p HISTONE-LYSINE
N-METHYLTRANSFERASE
2D

(Homo sapiens) 		PF00856
(SET) 		6 GLY A5408
ASN A5474
HIS A5475
TYR A5512
CYH A5525
CYH A5527
 SAH  A5602 (-3.6A)
SAH  A5602 (-3.1A)
None
None
ZN  A5601 ( 2.2A)
ZN  A5601 ( 2.2A)
 0.30A 6ineA-4z4pA:
15.4		 6ineA-4z4pA:
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.
5cpr HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H1

(Homo sapiens) 		PF00856
(SET) 		5 ASN B 272
HIS B 273
TYR B 307
CYH B 319
CYH B 321
 SAM  B 402 (-3.1A)
SAM  B 402 (-4.5A)
539  B 403 ( 3.9A)
ZN  B 401 ( 2.3A)
ZN  B 401 ( 2.2A)
 0.49A 6ineA-5cprB:
7.5		 6ineA-5cprB:
25.33
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.
5f59 HISTONE-LYSINE
N-METHYLTRANSFERASE
2C

(Homo sapiens) 		PF00856
(SET) 		6 GLY A4782
ASN A4848
HIS A4849
TYR A4886
CYH A4899
CYH A4901
 SAH  A5002 (-3.5A)
SAH  A5002 (-2.7A)
SAH  A5002 (-4.6A)
None
ZN  A5001 ( 2.0A)
ZN  A5001 (-2.3A)
 0.34A 6ineA-5f59A:
15.5		 6ineA-5f59A:
21.97
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.
5f6l HISTONE-LYSINE
N-METHYLTRANSFERASE
2A

(Homo sapiens) 		PF00856
(SET) 		6 GLY A3840
ASN A3906
HIS A3907
TYR A3944
CYH A3957
CYH A3959
 SAH  A4001 (-3.4A)
SAH  A4001 (-3.0A)
SAH  A4001 (-4.9A)
SAH  A4001 (-4.9A)
ZN  A4002 ( 2.3A)
ZN  A4002 (-2.3A)
 0.24A 6ineA-5f6lA:
14.8		 6ineA-5f6lA:
22.93
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.
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)
 1.00A 6ineA-5kjmA:
6.1		 6ineA-5kjmA:
19.63
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.
5kjm N-LYSINE
METHYLTRANSFERASE
SMYD2

(Homo sapiens) 		PF00856
(SET)
PF01753
(zf-MYND) 		5 GLY A  18
ASN A 206
HIS A 207
TYR A 240
CYH A 262
 SAM  A 501 ( 4.1A)
SAM  A 501 (-3.2A)
None
6TM  A 502 ( 3.6A)
ZN  A 505 (-2.3A)
 0.46A 6ineA-5kjmA:
6.1		 6ineA-5kjmA:
19.63
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.
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)
 1.18A 6ineA-5kjmA:
6.1		 6ineA-5kjmA:
19.63
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.
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)
 1.36A 6ineA-5kjmA:
6.1		 6ineA-5kjmA:
19.63
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.
5ls6 HISTONE-LYSINE
N-METHYLTRANSFERASE
EZH2,HISTONE-LYSINE
N-METHYLTRANSFERASE
EZH2,HISTONE-LYSINE
N-METHYLTRANSFERASE
EZH2

(Homo sapiens) 		PF00856
(SET)
PF11616
(EZH2_WD-Binding) 		5 GLY A 623
TRP A 624
ASN A 688
HIS A 689
TYR A 726
 74D  A 809 ( 3.9A)
None
74D  A 809 (-3.0A)
None
None
 0.62A 6ineA-5ls6A:
17.8		 6ineA-5ls6A:
17.26
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
ASN A1141
HIS A1142
TYR A1179
CYH A1191
CYH A1193
 SAM  A1304 ( 3.2A)
None
SAM  A1304 (-2.9A)
SAM  A1304 (-4.6A)
SAM  A1304 (-4.1A)
ZN  A1301 ( 2.3A)
ZN  A1301 (-2.3A)
 0.36A 6ineA-5lsuA:
24.6		 6ineA-5lsuA:
37.96
Potential target for repurposing, i.e. matched protein structure has less than 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
ASN A 298
HIS A 299
TYR A 336
 SAM  A 401 (-4.6A)
SAM  A 401 ( 4.0A)
SAM  A 401 (-3.2A)
None
SAM  A 401 (-4.8A)
 0.37A 6ineA-5tegA:
13.6		 6ineA-5tegA:
20.97
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.
5tuy HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT2

(Homo sapiens) 		PF00856
(SET)
PF05033
(Pre-SET) 		5 GLY A1049
ASN A1112
HIS A1113
GLN A1169
CYH A1170
 SAM  A1505 ( 3.9A)
SAM  A1505 (-3.4A)
SAM  A1505 (-4.7A)
None
ZN  A1504 (-2.2A)
 1.37A 6ineA-5tuyA:
17.6		 6ineA-5tuyA:
27.43
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.
5tuy HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT2

(Homo sapiens) 		PF00856
(SET)
PF05033
(Pre-SET) 		5 GLY A1049
TRP A1050
ASN A1112
HIS A1113
CYH A1170
 SAM  A1505 ( 3.9A)
None
SAM  A1505 (-3.4A)
SAM  A1505 (-4.7A)
ZN  A1504 (-2.2A)
 1.26A 6ineA-5tuyA:
17.6		 6ineA-5tuyA:
27.43
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.
5tuy HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT2

(Homo sapiens) 		PF00856
(SET)
PF05033
(Pre-SET) 		7 GLY A1049
TRP A1050
ASN A1112
HIS A1113
TYR A1154
CYH A1168
CYH A1170
 SAM  A1505 ( 3.9A)
None
SAM  A1505 (-3.4A)
SAM  A1505 (-4.7A)
SAM  A1505 (-4.9A)
ZN  A1504 (-2.2A)
ZN  A1504 (-2.2A)
 0.31A 6ineA-5tuyA:
17.6		 6ineA-5tuyA:
27.43
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.
5tuy HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT2

(Homo sapiens) 		PF00856
(SET)
PF05033
(Pre-SET) 		5 GLY A1049
TRP A1050
HIS A1113
TYR A1154
CYH A1168
 SAM  A1505 ( 3.9A)
None
SAM  A1505 (-4.7A)
SAM  A1505 (-4.9A)
ZN  A1504 (-2.2A)
 1.38A 6ineA-5tuyA:
17.6		 6ineA-5tuyA:
27.43
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.
5vsd HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT1

(Homo sapiens) 		PF00856
(SET)
PF05033
(Pre-SET) 		7 GLY A1137
TRP A1138
ASN A1200
HIS A1201
TYR A1242
CYH A1256
CYH A1258
 SAM  A3001 (-3.6A)
None
SAM  A3001 (-3.4A)
SAM  A3001 (-4.6A)
SAM  A3001 (-4.8A)
ZN  A3005 ( 2.4A)
ZN  A3005 (-2.3A)
 0.39A 6ineA-5vsdA:
17.9		 6ineA-5vsdA:
26.35
Potential target for repurposing, i.e. matched protein structure has less than 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
HIS A1201
TYR A1242
CYH A1258
 SAM  A3001 (-3.6A)
None
SAM  A3001 (-4.6A)
SAM  A3001 (-4.8A)
ZN  A3005 (-2.3A)
 1.31A 6ineA-5vsdA:
17.9		 6ineA-5vsdA:
26.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wg6 HISTONE-LYSINE
N-METHYLTRANSFERASE
EZH2,POLYCOMB
PROTEIN SUZ12
(E.C.2.1.1.43)
CHIMERA

(Homo sapiens) 		no annotation 5 GLY A 623
TRP A 624
ASN A 688
HIS A 689
TYR A 726
 A9G  A9009 ( 4.2A)
None
A9G  A9009 (-3.1A)
None
None
 0.59A 6ineA-5wg6A:
18.0		 6ineA-5wg6A:
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.
5xxg -

(-) 		no annotation 5 GLY A  15
ASN A 205
HIS A 206
TYR A 239
CYH A 261
 SAM  A 502 ( 3.9A)
SAM  A 502 (-3.1A)
None
8HR  A 501 ( 4.0A)
ZN  A 503 (-2.2A)
 0.65A 6ineA-5xxgA:
5.9		 6ineA-5xxgA:
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.
5y3r DNA-DEPENDENT
PROTEIN KINASE
CATALYTIC SUBUNIT

(Homo sapiens) 		PF00454
(PI3_PI4_kinase)
PF02259
(FAT)
PF02260
(FATC)
PF08163
(NUC194) 		5 GLY C3921
ASP C3941
HIS C3908
CYH C3912
ILE C3911
 None
 1.49A 6ineA-5y3rC:
undetectable		 6ineA-5y3rC:
4.74
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.
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
 1.31A 6ineA-6c8sA:
undetectable		 6ineA-6c8sA:
undetectable
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 A1156
TRP A1157
ASN A1223
HIS A1224
CYH A1273
 SAM  A1301 (-3.6A)
None
SAM  A1301 (-3.2A)
None
ZN  A1304 ( 2.3A)
 1.23A 6ineA-6cenA:
24.8		 6ineA-6cenA:
37.97
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
ASN A1223
HIS A1224
TYR A1261
CYH A1273
CYH A1275
 SAM  A1301 (-3.6A)
None
SAM  A1301 (-3.2A)
None
SAM  A1301 (-4.9A)
ZN  A1304 ( 2.3A)
ZN  A1304 (-2.3A)
 0.43A 6ineA-6cenA:
24.8		 6ineA-6cenA:
37.97
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 A1156
TRP A1157
HIS A1224
TYR A1261
CYH A1275
 SAM  A1301 (-3.6A)
None
None
SAM  A1301 (-4.9A)
ZN  A1304 (-2.3A)
 1.42A 6ineA-6cenA:
24.8		 6ineA-6cenA:
37.97