SIMILAR PATTERNS OF AMINO ACIDS FOR 4YNM_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.
1epx FRUCTOSE-1,6-BISPHOS
PHATE ALDOLASE

(Leishmania
mexicana) 		PF00274
(Glycolytic) 		5 GLY A 136
HIS A  88
TYR A 147
CYH A 155
ILE A 115
 None
 1.36A 4ynmA-1epxA:
undetectable		 4ynmA-1epxA:
18.30
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.
1hdi PHOSPHOGLYCERATE
KINASE

(Sus scrofa) 		PF00162
(PGK) 		5 GLY A 365
HIS A 390
TYR A 195
GLN A 332
ILE A 369
 None
 1.40A 4ynmA-1hdiA:
undetectable		 4ynmA-1hdiA:
20.19
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.
1icf PROTEIN (CATHEPSIN
L: HEAVY CHAIN)
PROTEIN (INVARIANT
CHAIN)

(Homo sapiens;
Homo sapiens) 		PF00112
(Peptidase_C1)
PF00086
(Thyroglobulin_1) 		5 GLY A  68
HIS A 163
TYR I 228
GLN A  19
ILE I 231
 None
 1.44A 4ynmA-1icfA:
undetectable		 4ynmA-1icfA:
20.35
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.
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 306
 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 ( 2.3A)
 0.68A 4ynmA-1pegA:
18.6		 4ynmA-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
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)
 1.23A 4ynmA-1pegA:
18.6		 4ynmA-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 TRP A 161
ASP A 202
ASN A 241
HIS A 242
TYR A 283
CYH A 306
 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)
 0.67A 4ynmA-1pegA:
18.6		 4ynmA-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.
2afh NITROGENASE
MOLYBDENUM-IRON
PROTEIN

(Azotobacter
vinelandii) 		PF00148
(Oxidored_nitro)
PF11844
(DUF3364) 		5 TRP B 370
ASP B 372
HIS B 297
GLN B 294
ILE B 318
 None
 1.17A 4ynmA-2afhB:
undetectable		 4ynmA-2afhB:
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.
2ghs AGR_C_1268P

(Agrobacterium
fabrum) 		PF08450
(SGL) 		5 GLY A 219
TRP A 236
ASN A 233
TYR A 244
ILE A 211
 None
 1.41A 4ynmA-2ghsA:
undetectable		 4ynmA-2ghsA:
18.40
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)
 0.51A 4ynmA-2r3aA:
19.4		 4ynmA-2r3aA:
28.53
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.
2r3a HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV39H2

(Homo sapiens) 		PF00856
(SET)
PF05033
(Pre-SET) 		5 GLY A 151
TRP A 152
HIS A 220
TYR A 261
CYH A 289
 SAM  A 304 (-3.5A)
None
SAM  A 304 (-4.9A)
SAM  A 304 (-4.9A)
ZN  A 300 ( 2.3A)
 1.34A 4ynmA-2r3aA:
19.4		 4ynmA-2r3aA:
28.53
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.
2w5z HISTONE-LYSINE
N-METHYLTRANSFERASE
HRX

(Homo sapiens) 		PF00856
(SET) 		5 GLY A3840
ASN A3906
HIS A3907
TYR A3944
CYH A3957
 SAH  A4971 ( 3.7A)
SAH  A4971 (-3.1A)
SAH  A4971 (-4.7A)
SAH  A4971 (-4.9A)
ZN  A4970 ( 2.3A)
 0.24A 4ynmA-2w5zA:
14.7		 4ynmA-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.
3bo5 HISTONE-LYSINE
N-METHYLTRANSFERASE
SETMAR

(Homo sapiens) 		PF00856
(SET)
PF05033
(Pre-SET) 		7 LYS A 135
GLY A 136
TRP A 137
ASN A 209
HIS A 210
TYR A 248
CYH A 273
 None
SAH  A 305 (-3.8A)
None
SAH  A 305 (-3.4A)
None
SAH  A 305 (-4.9A)
ZN  A 304 ( 2.3A)
 0.25A 4ynmA-3bo5A:
20.1		 4ynmA-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) 		6 LYS A 135
GLY A 136
TRP A 137
HIS A 210
TYR A 248
CYH A 275
 None
SAH  A 305 (-3.8A)
None
None
SAH  A 305 (-4.9A)
ZN  A 304 ( 2.3A)
 1.47A 4ynmA-3bo5A:
20.1		 4ynmA-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.
3c8l FTSZ-LIKE PROTEIN OF
UNKNOWN FUNCTION

(Nostoc
punctiforme) 		PF09585
(Lin0512_fam) 		5 GLY A  94
ASP A 102
HIS A  17
GLN A  16
ILE A  14
 None
None
None
None
CL  A 124 (-4.4A)
 1.45A 4ynmA-3c8lA:
undetectable		 4ynmA-3c8lA:
19.30
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.
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 4ynmA-3n71A:
6.1		 4ynmA-3n71A:
18.45
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) 		6 LYS A  17
GLY A  18
ASN A 205
HIS A 206
TYR A 252
CYH A 274
 SFG  A 491 (-4.7A)
SFG  A 491 ( 4.2A)
SFG  A 491 (-3.3A)
None
SFG  A 491 (-4.8A)
ZN  A 497 (-2.2A)
 0.83A 4ynmA-3n71A:
6.1		 4ynmA-3n71A:
18.45
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) 		7 GLY A 102
TRP A 103
ASN A 169
HIS A 170
TYR A 207
CYH A 219
LYS A 220
 SAM  A 237 ( 3.7A)
None
SAM  A 237 (-3.3A)
SAM  A 237 (-4.7A)
None
ZN  A 232 ( 2.3A)
None
 0.28A 4ynmA-3ooiA:
27.0		 4ynmA-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 102
TRP A 103
HIS A 170
TYR A 207
CYH A 221
 SAM  A 237 ( 3.7A)
None
SAM  A 237 (-4.7A)
None
ZN  A 232 (-2.3A)
 1.21A 4ynmA-3ooiA:
27.0		 4ynmA-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) 		5 GLY A2153
HIS A2218
TYR A2255
CYH A2268
ILE A2279
 None
None
None
ZN  A   1 ( 2.5A)
None
 1.17A 4ynmA-3opeA:
34.2		 4ynmA-3opeA:
98.23
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
ASN A2217
HIS A2218
TYR A2255
GLN A2266
CYH A2268
LYS A2269
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
None
 0.50A 4ynmA-3opeA:
34.2		 4ynmA-3opeA:
98.23
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
HIS A2218
TYR A2255
CYH A2270
 None
SAM  A   7 (-3.4A)
None
None
None
ZN  A   1 (-2.7A)
 1.34A 4ynmA-3opeA:
34.2		 4ynmA-3opeA:
98.23
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
HIS A2193
ASN A2217
HIS A2218
TYR A2255
CYH A2268
ILE A2279
 None
None
SAM  A   7 (-3.9A)
None
None
ZN  A   1 ( 2.5A)
None
 1.22A 4ynmA-3opeA:
34.2		 4ynmA-3opeA:
98.23
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.
4d05 ATP-DEPENDENT DNA
LIGASE

(Psychromonas
sp. SP041) 		PF01068
(DNA_ligase_A_M)
PF14743
(DNA_ligase_OB_2) 		5 HIS A  36
TYR A  32
GLN A  37
LYS A   0
ILE A  39
 None
 1.50A 4ynmA-4d05A:
undetectable		 4ynmA-4d05A:
22.03
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.
4d28 CBL-INTERACTING
SERINE/THREONINE-PRO
TEIN KINASE 24

(Arabidopsis
thaliana) 		PF00069
(Pkinase) 		5 LYS A 128
GLY A 129
HIS A 132
HIS A  68
ILE A  71
 None
 1.28A 4ynmA-4d28A:
undetectable		 4ynmA-4d28A:
20.53
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
ASN A1628
HIS A1629
GLN A1676
CYH A1678
 None
0UM  A1804 (-3.5A)
None
0UM  A1804 (-3.3A)
None
0UM  A1804 (-3.3A)
ZN  A1803 ( 2.2A)
 0.31A 4ynmA-4fmuA:
25.5		 4ynmA-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.
4g34 EUKARYOTIC
TRANSLATION
INITIATION FACTOR
2-ALPHA KINASE 3

(Homo sapiens) 		PF00069
(Pkinase) 		5 LYS A 930
GLY A 931
HIS A 934
HIS A 647
ILE A 650
 None
 1.49A 4ynmA-4g34A:
undetectable		 4ynmA-4g34A:
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.
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
 0.81A 4ynmA-4mi5A:
15.7		 4ynmA-4mi5A:
29.88
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
ASN A 551
HIS A 552
TYR A 593
CYH A 612
 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)
 0.54A 4ynmA-4qeoA:
17.1		 4ynmA-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.
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
 0.65A 4ynmA-4w2rA:
21.8		 4ynmA-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) 		5 GLY A5408
ASN A5474
HIS A5475
TYR A5512
CYH A5525
 SAH  A5602 (-3.6A)
SAH  A5602 (-3.1A)
None
None
ZN  A5601 ( 2.2A)
 0.25A 4ynmA-4z4pA:
16.9		 4ynmA-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) 		5 GLY A4782
ASN A4848
HIS A4849
TYR A4886
CYH A4899
 SAH  A5002 (-3.5A)
SAH  A5002 (-2.7A)
SAH  A5002 (-4.6A)
None
ZN  A5001 ( 2.0A)
 0.30A 4ynmA-5f59A:
16.2		 4ynmA-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) 		5 GLY A3840
ASN A3906
HIS A3907
TYR A3944
CYH A3957
 SAH  A4001 (-3.4A)
SAH  A4001 (-3.0A)
SAH  A4001 (-4.9A)
SAH  A4001 (-4.9A)
ZN  A4002 ( 2.3A)
 0.27A 4ynmA-5f6lA:
16.3		 4ynmA-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) 		6 LYS A  17
GLY A  18
ASN A 206
HIS A 207
TYR A 240
CYH A 262
 None
SAM  A 501 ( 4.1A)
SAM  A 501 (-3.2A)
None
6TM  A 502 ( 3.6A)
ZN  A 505 (-2.3A)
 1.00A 4ynmA-5kjmA:
6.5		 4ynmA-5kjmA:
19.81
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.
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
 0.82A 4ynmA-5ls6A:
18.7		 4ynmA-5ls6A:
14.55
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
ASN A1141
HIS A1142
TYR A1179
CYH A1191
 SAM  A1304 ( 3.2A)
None
SAM  A1304 (-2.9A)
SAM  A1304 (-4.6A)
SAM  A1304 (-4.1A)
ZN  A1301 ( 2.3A)
 0.38A 4ynmA-5lsuA:
27.8		 4ynmA-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 A1074
TRP A1075
HIS A1142
TYR A1179
CYH A1193
 SAM  A1304 ( 3.2A)
None
SAM  A1304 (-4.6A)
SAM  A1304 (-4.1A)
ZN  A1301 (-2.3A)
 1.26A 4ynmA-5lsuA:
27.8		 4ynmA-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
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)
 0.28A 4ynmA-5tegA:
14.2		 4ynmA-5tegA:
22.57
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.
5teg N-LYSINE
METHYLTRANSFERASE
KMT5A

(Homo sapiens) 		PF00856
(SET) 		5 LYS A 226
GLY A 227
HIS A 347
ASN A 298
TYR A 336
 SAM  A 401 (-4.6A)
SAM  A 401 ( 4.0A)
None
SAM  A 401 (-3.2A)
SAM  A 401 (-4.8A)
 1.30A 4ynmA-5tegA:
14.2		 4ynmA-5tegA:
22.57
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.
5tuy HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT2

(Homo sapiens) 		PF00856
(SET)
PF05033
(Pre-SET) 		6 GLY A1049
TRP A1050
ASN A1112
HIS A1113
TYR A1154
CYH A1168
 SAM  A1505 ( 3.9A)
None
SAM  A1505 (-3.4A)
SAM  A1505 (-4.7A)
SAM  A1505 (-4.9A)
ZN  A1504 (-2.2A)
 0.45A 4ynmA-5tuyA:
18.2		 4ynmA-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
ASN A1112
HIS A1113
TYR A1154
CYH A1170
 SAM  A1505 ( 3.9A)
None
SAM  A1505 (-3.4A)
SAM  A1505 (-4.7A)
SAM  A1505 (-4.9A)
ZN  A1504 (-2.2A)
 1.21A 4ynmA-5tuyA:
18.2		 4ynmA-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) 		6 GLY A1137
TRP A1138
ASN A1200
HIS A1201
TYR A1242
CYH A1256
 SAM  A3001 (-3.6A)
None
SAM  A3001 (-3.4A)
SAM  A3001 (-4.6A)
SAM  A3001 (-4.8A)
ZN  A3005 ( 2.4A)
 0.51A 4ynmA-5vsdA:
18.2		 4ynmA-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 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)
 1.24A 4ynmA-5vsdA:
18.2		 4ynmA-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.
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
 0.71A 4ynmA-5wg6A:
19.6		 4ynmA-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)
 0.66A 4ynmA-5xxgA:
6.3		 4ynmA-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.
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 4ynmA-6c8sA:
undetectable		 4ynmA-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 6 GLY A1156
TRP A1157
ASN A1223
HIS A1224
TYR A1261
CYH A1273
 SAM  A1301 (-3.6A)
None
SAM  A1301 (-3.2A)
None
SAM  A1301 (-4.9A)
ZN  A1304 ( 2.3A)
 0.36A 4ynmA-6cenA:
26.7		 4ynmA-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 A1156
TRP A1157
HIS A1224
TYR A1261
CYH A1275
 SAM  A1301 (-3.6A)
None
None
SAM  A1301 (-4.9A)
ZN  A1304 (-2.3A)
 1.35A 4ynmA-6cenA:
26.7		 4ynmA-6cenA:
41.03