SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3smt'

List of Similar Pattern of Amino Acids

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 on the DrReposER ID to view details on interfaces and similar patterns of amino acids)
(Click on the view link on the last column to view superposed patterns of amino acids)
Filter list by:
DrReposER ID / Desc. Hit
PDBID		 Hit
Macromolecule		 Res.
Matches		 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.
1GTI_F_CCSF47_0
(GLUTATHIONE
S-TRANSFERASE)		 3smt HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD3
(Homo
sapiens) 		4 / 5 LEU A 148
GLY A 152
LYS A 134
TYR A 142
 None
 1.38A 1gtiF-3smtA:
undetectable		 1gtiF-3smtA:
18.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1S3Z_B_RIOB501_0
(AMINOGLYCOSIDE
6'-N-ACETYLTRANSFERA
SE)		 3smt HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD3
(Homo
sapiens) 		4 / 8 GLU A 181
ARG A  53
GLU A 192
ASP A 183
 None
 1.27A 1s3zA-3smtA:
undetectable
1s3zB-3smtA:
undetectable		 1s3zA-3smtA:
14.69
1s3zB-3smtA:
14.69
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.
1T87_B_CAMB2422_0
(CYTOCHROME P450-CAM)		 3smt HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD3
(Homo
sapiens) 		4 / 7 THR A 199
VAL A 193
VAL A 321
ILE A 322
 None
None
None
UNX  A 502 ( 4.8A)
 0.88A 1t87B-3smtA:
undetectable		 1t87B-3smtA:
21.78
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.
2AZX_A_TRPA602_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)		 3smt HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD3
(Homo
sapiens) 		4 / 8 ILE A 223
PHE A 158
LEU A 148
ILE A 147
 None
 0.86A 2azxA-3smtA:
undetectable		 2azxA-3smtA:
23.27
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.
2BXE_A_1FLA2003_1
(SERUM ALBUMIN)		 3smt HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD3
(Homo
sapiens) 		5 / 9 LEU A 234
PHE A 238
LEU A 138
LEU A 148
ALA A 157
 None
 1.18A 2bxeA-3smtA:
undetectable		 2bxeA-3smtA:
21.94
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.
2H21_A_SAMA801_0
(RIBULOSE-1,5
BISPHOSPHATE
CARBOXYLASE/OXYGENAS
E)		 3smt HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD3
(Homo
sapiens) 		7 / 10 GLU A 103
GLY A 104
ARG A 253
ASN A 277
HIS A 278
TYR A 312
PHE A 326
 None
SAM  A1000 ( 4.5A)
SAM  A1000 (-2.7A)
SAM  A1000 (-3.2A)
None
SAM  A1000 (-4.8A)
SAM  A1000 (-3.6A)
 0.69A 2h21A-3smtA:
31.8		 2h21A-3smtA:
27.15
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.
2H21_A_SAMA801_0
(RIBULOSE-1,5
BISPHOSPHATE
CARBOXYLASE/OXYGENAS
E)		 3smt HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD3
(Homo
sapiens) 		5 / 10 GLY A 106
ARG A 253
HIS A 278
TYR A 312
PHE A 326
 None
SAM  A1000 (-2.7A)
None
SAM  A1000 (-4.8A)
SAM  A1000 (-3.6A)
 1.25A 2h21A-3smtA:
31.8		 2h21A-3smtA:
27.15
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.
2H21_B_SAMB802_0
(RIBULOSE-1,5
BISPHOSPHATE
CARBOXYLASE/OXYGENAS
E)		 3smt HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD3
(Homo
sapiens) 		8 / 11 GLU A 103
GLY A 104
PRO A 179
ARG A 253
ASN A 277
HIS A 278
TYR A 312
PHE A 326
 None
SAM  A1000 ( 4.5A)
SAM  A1000 ( 4.4A)
SAM  A1000 (-2.7A)
SAM  A1000 (-3.2A)
None
SAM  A1000 (-4.8A)
SAM  A1000 (-3.6A)
 0.75A 2h21B-3smtA:
31.4		 2h21B-3smtA:
27.15
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.
2H21_B_SAMB802_0
(RIBULOSE-1,5
BISPHOSPHATE
CARBOXYLASE/OXYGENAS
E)		 3smt HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD3
(Homo
sapiens) 		5 / 11 GLY A 106
ARG A 253
HIS A 278
TYR A 312
PHE A 326
 None
SAM  A1000 (-2.7A)
None
SAM  A1000 (-4.8A)
SAM  A1000 (-3.6A)
 1.25A 2h21B-3smtA:
31.4		 2h21B-3smtA:
27.15
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.
2H21_C_SAMC803_0
(RIBULOSE-1,5
BISPHOSPHATE
CARBOXYLASE/OXYGENAS
E)		 3smt HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD3
(Homo
sapiens) 		8 / 11 GLU A 103
GLY A 104
PRO A 179
ARG A 253
ASN A 277
HIS A 278
TYR A 312
PHE A 326
 None
SAM  A1000 ( 4.5A)
SAM  A1000 ( 4.4A)
SAM  A1000 (-2.7A)
SAM  A1000 (-3.2A)
None
SAM  A1000 (-4.8A)
SAM  A1000 (-3.6A)
 0.71A 2h21C-3smtA:
31.3		 2h21C-3smtA:
27.15
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.
2H21_C_SAMC803_0
(RIBULOSE-1,5
BISPHOSPHATE
CARBOXYLASE/OXYGENAS
E)		 3smt HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD3
(Homo
sapiens) 		5 / 11 GLU A 103
GLY A 106
LEU A 107
TYR A 312
PHE A 326
 None
None
None
SAM  A1000 (-4.8A)
SAM  A1000 (-3.6A)
 1.46A 2h21C-3smtA:
31.3		 2h21C-3smtA:
27.15
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.
2QBM_A_CAMA517_0
(CYTOCHROME P450-CAM)		 3smt HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD3
(Homo
sapiens) 		4 / 8 THR A 199
VAL A 193
VAL A 321
ILE A 322
 None
None
None
UNX  A 502 ( 4.8A)
 0.87A 2qbmA-3smtA:
undetectable		 2qbmA-3smtA:
20.27
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.
3HBB_B_TMQB612_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 3smt HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD3
(Homo
sapiens) 		5 / 9 VAL A 122
THR A 129
SER A 132
ILE A 270
TYR A 287
 None
 1.48A 3hbbB-3smtA:
undetectable		 3hbbB-3smtA:
22.51
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.
3HCR_A_CHDA4_0
(FERROCHELATASE,
MITOCHONDRIAL)		 3smt HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD3
(Homo
sapiens) 		3 / 3 LEU A 232
PRO A 233
LEU A 234
 None
 0.50A 3hcrA-3smtA:
undetectable		 3hcrA-3smtA:
21.06
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.
3KP5_B_KANB2002_1
(TRANSCRIPTIONAL
REGULATOR TCAR)		 3smt HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD3
(Homo
sapiens) 		3 / 3 ALA A 463
ARG A 467
LYS A 471
 None
 1.03A 3kp5B-3smtA:
undetectable		 3kp5B-3smtA:
17.25
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.
3LP9_D_SPMD230_1
(LS-24)		 3smt HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD3
(Homo
sapiens) 		3 / 3 GLU A 373
GLU A 422
ASN A 484
 None
 0.90A 3lp9B-3smtA:
undetectable
3lp9D-3smtA:
undetectable		 3lp9B-3smtA:
16.83
3lp9D-3smtA:
16.83
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.
3MEK_A_SAMA510_0
(SET AND MYND
DOMAIN-CONTAINING
PROTEIN 3)		 3smt HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD3
(Homo
sapiens) 		5 / 12 GLY A 104
ASN A 277
HIS A 278
TYR A 312
PHE A 326
 SAM  A1000 ( 4.5A)
SAM  A1000 (-3.2A)
None
SAM  A1000 (-4.8A)
SAM  A1000 (-3.6A)
 0.47A 3mekA-3smtA:
12.2		 3mekA-3smtA:
24.64
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.
3QWP_A_SAMA510_0
(SET AND MYND
DOMAIN-CONTAINING
PROTEIN 3)		 3smt HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD3
(Homo
sapiens) 		5 / 12 GLY A 104
ASN A 277
HIS A 278
TYR A 312
PHE A 326
 SAM  A1000 ( 4.5A)
SAM  A1000 (-3.2A)
None
SAM  A1000 (-4.8A)
SAM  A1000 (-3.6A)
 0.46A 3qwpA-3smtA:
0.0		 3qwpA-3smtA:
24.64
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.
3QXY_A_SAMA6734_0
(N-LYSINE
METHYLTRANSFERASE
SETD6)		 3smt HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD3
(Homo
sapiens) 		5 / 12 GLY A 104
ASN A 277
HIS A 278
TYR A 312
PHE A 326
 SAM  A1000 ( 4.5A)
SAM  A1000 (-3.2A)
None
SAM  A1000 (-4.8A)
SAM  A1000 (-3.6A)
 0.81A 3qxyA-3smtA:
28.6		 3qxyA-3smtA:
25.19
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.
3RC0_B_SAMB480_0
(N-LYSINE
METHYLTRANSFERASE
SETD6)		 3smt HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD3
(Homo
sapiens) 		5 / 12 GLY A 104
ASN A 277
HIS A 278
TYR A 312
PHE A 326
 SAM  A1000 ( 4.5A)
SAM  A1000 (-3.2A)
None
SAM  A1000 (-4.8A)
SAM  A1000 (-3.6A)
 0.79A 3rc0B-3smtA:
28.6		 3rc0B-3smtA:
25.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3SMT_A_ACTA1001_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD3)		 3smt HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD3
(Homo
sapiens) 		5 / 5 LEU A 340
GLY A 341
PHE A 387
PHE A 428
ARG A 432
 ACT  A1001 (-3.9A)
ACT  A1001 (-3.9A)
ACT  A1001 (-4.1A)
ACT  A1001 (-4.8A)
ACT  A1001 (-3.1A)
 0.00A 3smtA-3smtA:
57.8		 3smtA-3smtA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3SMT_A_ACTA500_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD3)		 3smt HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD3
(Homo
sapiens) 		3 / 3 PHE A 367
SER A 377
GLN A 379
 None
ACT  A 500 (-2.7A)
ACT  A 500 (-4.1A)
 0.02A 3smtA-3smtA:
57.8		 3smtA-3smtA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3SMT_A_SAMA1000_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD3)		 3smt HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD3
(Homo
sapiens) 		10 / 10 ARG A  74
GLU A 103
PHE A 105
PRO A 179
THR A 252
ARG A 253
ASN A 277
HIS A 278
TYR A 312
PHE A 326
 SAM  A1000 (-2.8A)
None
None
SAM  A1000 ( 4.4A)
SAM  A1000 (-3.7A)
SAM  A1000 (-2.7A)
SAM  A1000 (-3.2A)
None
SAM  A1000 (-4.8A)
SAM  A1000 (-3.6A)
 0.00A 3smtA-3smtA:
57.8		 3smtA-3smtA:
100.00
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.
3V81_A_NVPA901_1
(HIV-1 REVERSE
TRANSCRIPTASE P66
SUBUNIT)		 3smt HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD3
(Homo
sapiens) 		4 / 8 LEU A 186
VAL A  56
TYR A 243
TYR A 187
 None
 1.05A 3v81A-3smtA:
undetectable		 3v81A-3smtA:
22.83
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.
3W1W_A_CHDA1504_0
(FERROCHELATASE,
MITOCHONDRIAL)		 3smt HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD3
(Homo
sapiens) 		4 / 4 PRO A 375
LEU A 369
ILE A 338
ARG A 432
 None
None
None
ACT  A1001 (-3.1A)
 1.08A 3w1wA-3smtA:
undetectable		 3w1wA-3smtA:
20.90
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.
4QB9_D_PARD500_1
(ENHANCED
INTRACELLULAR
SURVIVAL PROTEIN)		 3smt HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD3
(Homo
sapiens) 		4 / 8 SER A 180
SER A 249
ASP A 274
TYR A  77
 None
 1.20A 4qb9D-3smtA:
undetectable		 4qb9D-3smtA:
20.08
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.
4ZBR_A_ACTA608_0
(SERUM ALBUMIN)		 3smt HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD3
(Homo
sapiens) 		3 / 3 LYS A 337
ARG A 335
HIS A 370
 UNX  A 502 ( 3.9A)
None
None
 1.17A 4zbrA-3smtA:
undetectable		 4zbrA-3smtA:
22.44
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.
5CCL_A_SAMA504_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SMYD3)		 3smt HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD3
(Homo
sapiens) 		5 / 12 GLY A 104
ASN A 277
HIS A 278
TYR A 312
PHE A 326
 SAM  A1000 ( 4.5A)
SAM  A1000 (-3.2A)
None
SAM  A1000 (-4.8A)
SAM  A1000 (-3.6A)
 0.49A 5cclA-3smtA:
0.0		 5cclA-3smtA:
24.60
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.
5CCM_A_SAMA504_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SMYD3)		 3smt HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD3
(Homo
sapiens) 		5 / 12 GLY A 104
ASN A 277
HIS A 278
TYR A 312
PHE A 326
 SAM  A1000 ( 4.5A)
SAM  A1000 (-3.2A)
None
SAM  A1000 (-4.8A)
SAM  A1000 (-3.6A)
 0.46A 5ccmA-3smtA:
12.1		 5ccmA-3smtA:
24.69
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.
5DZK_R_BEZR801_1
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 2
BEZ-LEU-LEU)		 3smt HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD3
(Homo
sapiens) 		4 / 8 SER A 132
ALA A 133
LEU A 156
LEU A 160
 None
 1.04A 5dzkd-3smtA:
undetectable
5dzkr-3smtA:
undetectable		 5dzkd-3smtA:
20.16
5dzkr-3smtA:
6.25
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.
5HWA_A_GCSA301_1
(CHITOSANASE)		 3smt HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD3
(Homo
sapiens) 		4 / 8 GLN A 300
ILE A 308
GLY A 281
THR A 279
 None
 0.97A 5hwaA-3smtA:
0.2		 5hwaA-3smtA:
20.33
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.
5IKR_B_ID8B602_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		 3smt HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD3
(Homo
sapiens) 		3 / 3 SER A 345
LEU A 394
MET A 351
 None
None
UNX  A 509 ( 4.4A)
 0.88A 5ikrB-3smtA:
undetectable		 5ikrB-3smtA:
20.41
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.
5V37_A_SAMA504_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SMYD3)		 3smt HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD3
(Homo
sapiens) 		5 / 12 GLY A 104
ASN A 277
HIS A 278
TYR A 312
PHE A 326
 SAM  A1000 ( 4.5A)
SAM  A1000 (-3.2A)
None
SAM  A1000 (-4.8A)
SAM  A1000 (-3.6A)
 0.51A 5v37A-3smtA:
12.2		 5v37A-3smtA:
24.69
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.
5X66_A_MTXA402_1
(THYMIDYLATE SYNTHASE)		 3smt HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD3
(Homo
sapiens) 		5 / 12 LEU A 107
GLY A 106
PHE A 105
ALA A 109
ASP A  80
 None
 1.04A 5x66A-3smtA:
undetectable
5x66B-3smtA:
undetectable		 5x66A-3smtA:
21.91
5x66B-3smtA:
21.91
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.
5XXD_A_SAMA501_0
(SMYD3
METHYLTRANSFERASE)		 3smt HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD3
(Homo
sapiens) 		5 / 12 GLY A 104
ASN A 277
HIS A 278
TYR A 312
PHE A 326
 SAM  A1000 ( 4.5A)
SAM  A1000 (-3.2A)
None
SAM  A1000 (-4.8A)
SAM  A1000 (-3.6A)
 0.51A 5xxdA-3smtA:
12.1		 5xxdA-3smtA:
23.69
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_A_SAMA502_0
(SMYD3)		 3smt HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD3
(Homo
sapiens) 		5 / 12 GLY A 104
ASN A 277
HIS A 278
TYR A 312
PHE A 326
 SAM  A1000 ( 4.5A)
SAM  A1000 (-3.2A)
None
SAM  A1000 (-4.8A)
SAM  A1000 (-3.6A)
 0.47A 5xxgA-3smtA:
12.1		 5xxgA-3smtA:
23.69
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.
5XXJ_A_SAMA505_0
(SMYD3)		 3smt HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD3
(Homo
sapiens) 		5 / 12 GLY A 104
ASN A 277
HIS A 278
TYR A 312
PHE A 326
 SAM  A1000 ( 4.5A)
SAM  A1000 (-3.2A)
None
SAM  A1000 (-4.8A)
SAM  A1000 (-3.6A)
 0.47A 5xxjA-3smtA:
12.1		 5xxjA-3smtA:
23.69
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.
5Y9Y_A_ACTA412_0
(UNCHARACTERIZED
PROTEIN KDOO)		 3smt HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD3
(Homo
sapiens) 		3 / 3 ARG A 253
PHE A  78
ARG A  74
 SAM  A1000 (-2.7A)
None
SAM  A1000 (-2.8A)
 1.25A 5y9yA-3smtA:
undetectable		 5y9yA-3smtA:
22.09
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.
5YJO_A_SAMA505_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SMYD3)		 3smt HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD3
(Homo
sapiens) 		5 / 12 GLY A 104
ASN A 277
HIS A 278
TYR A 312
PHE A 326
 SAM  A1000 ( 4.5A)
SAM  A1000 (-3.2A)
None
SAM  A1000 (-4.8A)
SAM  A1000 (-3.6A)
 0.47A 5yjoA-3smtA:
12.1		 5yjoA-3smtA:
23.69
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.
6FGC_A_ACTA811_0
(GEPHYRIN)		 3smt HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD3
(Homo
sapiens) 		3 / 3 LEU A 160
LEU A 178
ARG A 253
 None
None
SAM  A1000 (-2.7A)
 0.68A 6fgcA-3smtA:
undetectable		 6fgcA-3smtA:
22.58
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.
6FGD_A_ACTA810_0
(GEPHYRIN)		 3smt HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD3
(Homo
sapiens) 		3 / 3 LEU A 160
LEU A 178
ARG A 253
 None
None
SAM  A1000 (-2.7A)
 0.68A 6fgdA-3smtA:
undetectable		 6fgdA-3smtA:
22.58