SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '5xxg'

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.
1IOL_A_ESTA400_1
(ESTROGENIC 17-BETA
HYDROXYSTEROID
DEHYDROGENASE)		 5xxg -
(-) 		5 / 11 VAL A 195
GLY A 196
TYR A 198
GLY A 194
GLU A  86
 None
 1.15A 1iolA-5xxgA:
undetectable		 1iolA-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.
1JWJ_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE)		 5xxg -
(-) 		4 / 4 MET A 275
ARG A 265
ILE A 360
PHE A 361
 None
 1.20A 1jwjA-5xxgA:
0.0		 1jwjA-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.
1JWJ_B_H4BB902_1
(NITRIC OXIDE
SYNTHASE)		 5xxg -
(-) 		4 / 4 MET A 275
ARG A 265
ILE A 360
PHE A 361
 None
 1.24A 1jwjB-5xxgA:
0.0		 1jwjB-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.
1N6C_A_SAMA402_0
(SET
DOMAIN-CONTAINING
PROTEIN 7)		 5xxg -
(-) 		5 / 11 GLY A  15
ASN A 181
ASN A 205
HIS A 206
TYR A 239
 SAM  A 502 ( 3.9A)
SAM  A 502 ( 4.1A)
SAM  A 502 (-3.1A)
None
8HR  A 501 ( 4.0A)
 0.41A 1n6cA-5xxgA:
6.8		 1n6cA-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.
2H21_A_SAMA801_0
(RIBULOSE-1,5
BISPHOSPHATE
CARBOXYLASE/OXYGENAS
E)		 5xxg -
(-) 		6 / 10 GLY A  15
ASN A 205
HIS A 206
TYR A 239
TYR A 257
PHE A 259
 SAM  A 502 ( 3.9A)
SAM  A 502 (-3.1A)
None
8HR  A 501 ( 4.0A)
None
SAM  A 502 (-3.5A)
 0.59A 2h21A-5xxgA:
10.2		 2h21A-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.
2H21_A_SAMA801_0
(RIBULOSE-1,5
BISPHOSPHATE
CARBOXYLASE/OXYGENAS
E)		 5xxg -
(-) 		5 / 10 GLY A  17
HIS A 206
TYR A 239
TYR A 257
PHE A 259
 None
None
8HR  A 501 ( 4.0A)
None
SAM  A 502 (-3.5A)
 1.07A 2h21A-5xxgA:
10.2		 2h21A-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.
2H21_A_SAMA801_0
(RIBULOSE-1,5
BISPHOSPHATE
CARBOXYLASE/OXYGENAS
E)		 5xxg -
(-) 		5 / 10 GLY A  17
LEU A  18
TYR A 239
TYR A 257
PHE A 259
 None
None
8HR  A 501 ( 4.0A)
None
SAM  A 502 (-3.5A)
 1.37A 2h21A-5xxgA:
10.2		 2h21A-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.
2H21_B_SAMB802_0
(RIBULOSE-1,5
BISPHOSPHATE
CARBOXYLASE/OXYGENAS
E)		 5xxg -
(-) 		6 / 11 GLY A  15
ASN A 205
HIS A 206
TYR A 239
TYR A 257
PHE A 259
 SAM  A 502 ( 3.9A)
SAM  A 502 (-3.1A)
None
8HR  A 501 ( 4.0A)
None
SAM  A 502 (-3.5A)
 0.53A 2h21B-5xxgA:
11.6		 2h21B-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.
2H21_B_SAMB802_0
(RIBULOSE-1,5
BISPHOSPHATE
CARBOXYLASE/OXYGENAS
E)		 5xxg -
(-) 		5 / 11 GLY A  17
HIS A 206
TYR A 239
TYR A 257
PHE A 259
 None
None
8HR  A 501 ( 4.0A)
None
SAM  A 502 (-3.5A)
 1.11A 2h21B-5xxgA:
11.6		 2h21B-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.
2H21_B_SAMB802_0
(RIBULOSE-1,5
BISPHOSPHATE
CARBOXYLASE/OXYGENAS
E)		 5xxg -
(-) 		5 / 11 GLY A  17
LEU A  18
TYR A 239
TYR A 257
PHE A 259
 None
None
8HR  A 501 ( 4.0A)
None
SAM  A 502 (-3.5A)
 1.42A 2h21B-5xxgA:
11.6		 2h21B-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.
2H21_C_SAMC803_0
(RIBULOSE-1,5
BISPHOSPHATE
CARBOXYLASE/OXYGENAS
E)		 5xxg -
(-) 		6 / 11 GLY A  15
ASN A 205
HIS A 206
TYR A 239
TYR A 257
PHE A 259
 SAM  A 502 ( 3.9A)
SAM  A 502 (-3.1A)
None
8HR  A 501 ( 4.0A)
None
SAM  A 502 (-3.5A)
 0.53A 2h21C-5xxgA:
10.1		 2h21C-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.
2H21_C_SAMC803_0
(RIBULOSE-1,5
BISPHOSPHATE
CARBOXYLASE/OXYGENAS
E)		 5xxg -
(-) 		5 / 11 GLY A  17
HIS A 206
TYR A 239
TYR A 257
PHE A 259
 None
None
8HR  A 501 ( 4.0A)
None
SAM  A 502 (-3.5A)
 1.06A 2h21C-5xxgA:
10.1		 2h21C-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.
2H21_C_SAMC803_0
(RIBULOSE-1,5
BISPHOSPHATE
CARBOXYLASE/OXYGENAS
E)		 5xxg -
(-) 		5 / 11 GLY A  17
LEU A  18
TYR A 239
TYR A 257
PHE A 259
 None
None
8HR  A 501 ( 4.0A)
None
SAM  A 502 (-3.5A)
 1.35A 2h21C-5xxgA:
10.1		 2h21C-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.
2JFA_A_RALA600_1
(ESTROGEN RECEPTOR)		 5xxg -
(-) 		5 / 12 ALA A 174
LEU A 171
LEU A 105
LEU A 104
LEU A 112
 None
 1.07A 2jfaA-5xxgA:
undetectable		 2jfaA-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.
2JFA_B_RALB600_1
(ESTROGEN RECEPTOR)		 5xxg -
(-) 		5 / 12 ALA A 174
LEU A 171
LEU A 105
LEU A 104
LEU A 112
 None
 1.08A 2jfaB-5xxgA:
undetectable		 2jfaB-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.
2QXS_A_RALA600_1
(ESTROGEN RECEPTOR)		 5xxg -
(-) 		5 / 12 ALA A 174
LEU A 171
LEU A 105
LEU A 104
LEU A 112
 None
 1.06A 2qxsA-5xxgA:
undetectable		 2qxsA-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.
2QXS_B_RALB600_1
(ESTROGEN RECEPTOR)		 5xxg -
(-) 		5 / 12 ALA A 174
LEU A 171
LEU A 105
LEU A 104
LEU A 112
 None
 1.06A 2qxsB-5xxgA:
undetectable		 2qxsB-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.
2R3A_A_SAMA304_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV39H2)		 5xxg -
(-) 		5 / 12 GLY A  46
THR A  39
HIS A  83
CYH A  65
CYH A  62
 None
None
ZN  A 505 (-3.3A)
ZN  A 505 (-2.3A)
ZN  A 505 (-2.3A)
 1.40A 2r3aA-5xxgA:
5.7		 2r3aA-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.
2VCT_C_ASDC1223_1
(GLUTATHIONE
S-TRANSFERASE A2)		 5xxg -
(-) 		4 / 8 TYR A 198
ILE A 185
GLY A 196
LEU A 104
 None
 0.93A 2vctC-5xxgA:
undetectable		 2vctC-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.
3CL9_A_MTXA602_2
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE (DHFR-TS))		 5xxg -
(-) 		4 / 4 VAL A   6
ARG A 224
ILE A 237
THR A  22
 None
 1.42A 3cl9A-5xxgA:
undetectable		 3cl9A-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.
3H5G_A_LEIA16_0
(COIL SER L16D-PEN)		 5xxg -
(-) 		4 / 6 GLN A 304
LEU A 306
GLU A 303
LEU A 341
 None
 0.47A 3h5gA-5xxgA:
undetectable
3h5gC-5xxgA:
undetectable		 3h5gA-5xxgA:
undetectable
3h5gC-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.
3H5G_C_LEIC16_0
(COIL SER L16D-PEN)		 5xxg -
(-) 		4 / 6 LEU A 341
GLN A 304
LEU A 306
GLU A 303
 None
 1.04A 3h5gB-5xxgA:
undetectable
3h5gC-5xxgA:
undetectable		 3h5gB-5xxgA:
undetectable
3h5gC-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.
3MEK_A_SAMA510_0
(SET AND MYND
DOMAIN-CONTAINING
PROTEIN 3)		 5xxg -
(-) 		12 / 12 ARG A  14
GLY A  15
ASN A  16
TYR A 124
GLU A 130
ASN A 132
ASN A 181
ASN A 205
HIS A 206
TYR A 239
TYR A 257
PHE A 259
 SAM  A 502 (-4.8A)
SAM  A 502 ( 3.9A)
SAM  A 502 (-4.4A)
SAM  A 502 (-4.4A)
SAM  A 502 (-4.9A)
SAM  A 502 (-3.2A)
SAM  A 502 ( 4.1A)
SAM  A 502 (-3.1A)
None
8HR  A 501 ( 4.0A)
None
SAM  A 502 (-3.5A)
 0.25A 3mekA-5xxgA:
64.8		 3mekA-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.
3OOI_A_SAMA237_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-36 AND H4
LYSINE-20 SPECIFIC)		 5xxg -
(-) 		5 / 12 ARG A  14
ASN A 205
HIS A 206
TYR A 239
CYH A 261
 SAM  A 502 (-4.8A)
SAM  A 502 (-3.1A)
None
8HR  A 501 ( 4.0A)
ZN  A 503 (-2.2A)
 0.98A 3ooiA-5xxgA:
5.8		 3ooiA-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.
3OOI_A_SAMA237_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-36 AND H4
LYSINE-20 SPECIFIC)		 5xxg -
(-) 		5 / 12 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 3ooiA-5xxgA:
5.8		 3ooiA-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.
3OPE_A_SAMA7_0
(PROBABLE
HISTONE-LYSINE
N-METHYLTRANSFERASE
ASH1L)		 5xxg -
(-) 		5 / 12 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)
 0.76A 3opeA-5xxgA:
6.2		 3opeA-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.
3QWP_A_SAMA510_0
(SET AND MYND
DOMAIN-CONTAINING
PROTEIN 3)		 5xxg -
(-) 		12 / 12 ARG A  14
GLY A  15
ASN A  16
GLU A 130
ASN A 132
CYH A 180
ASN A 181
ASN A 205
HIS A 206
TYR A 239
TYR A 257
PHE A 259
 SAM  A 502 (-4.8A)
SAM  A 502 ( 3.9A)
SAM  A 502 (-4.4A)
SAM  A 502 (-4.9A)
SAM  A 502 (-3.2A)
SAM  A 502 (-4.1A)
SAM  A 502 ( 4.1A)
SAM  A 502 (-3.1A)
None
8HR  A 501 ( 4.0A)
None
SAM  A 502 (-3.5A)
 0.20A 3qwpA-5xxgA:
64.6		 3qwpA-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.
3QWP_A_SAMA510_0
(SET AND MYND
DOMAIN-CONTAINING
PROTEIN 3)		 5xxg -
(-) 		5 / 12 GLU A 130
ASN A 132
CYH A 180
ASN A 181
ASN A  16
 SAM  A 502 (-4.9A)
SAM  A 502 (-3.2A)
SAM  A 502 (-4.1A)
SAM  A 502 ( 4.1A)
SAM  A 502 (-4.4A)
 1.47A 3qwpA-5xxgA:
64.6		 3qwpA-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.
3QXY_A_SAMA6734_0
(N-LYSINE
METHYLTRANSFERASE
SETD6)		 5xxg -
(-) 		6 / 12 GLY A  15
ASN A 205
HIS A 206
TYR A 239
TYR A 257
PHE A 259
 SAM  A 502 ( 3.9A)
SAM  A 502 (-3.1A)
None
8HR  A 501 ( 4.0A)
None
SAM  A 502 (-3.5A)
 0.48A 3qxyA-5xxgA:
12.1		 3qxyA-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.
3QXY_A_SAMA6734_0
(N-LYSINE
METHYLTRANSFERASE
SETD6)		 5xxg -
(-) 		5 / 12 GLY A  17
HIS A 206
TYR A 239
TYR A 257
PHE A 259
 None
None
8HR  A 501 ( 4.0A)
None
SAM  A 502 (-3.5A)
 1.19A 3qxyA-5xxgA:
12.1		 3qxyA-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.
3QXY_B_SAMB6735_0
(N-LYSINE
METHYLTRANSFERASE
SETD6
TRANSCRIPTION FACTOR
P65)		 5xxg -
(-) 		5 / 11 GLY A  15
ASN A 205
TYR A 239
TYR A 257
PHE A 259
 SAM  A 502 ( 3.9A)
SAM  A 502 (-3.1A)
8HR  A 501 ( 4.0A)
None
SAM  A 502 (-3.5A)
 0.44A 3qxyB-5xxgA:
12.2
3qxyQ-5xxgA:
undetectable		 3qxyB-5xxgA:
undetectable
3qxyQ-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.
3RC0_A_SAMA484_0
(N-LYSINE
METHYLTRANSFERASE
SETD6)		 5xxg -
(-) 		5 / 11 GLY A  15
ASN A 205
TYR A 239
TYR A 257
PHE A 259
 SAM  A 502 ( 3.9A)
SAM  A 502 (-3.1A)
8HR  A 501 ( 4.0A)
None
SAM  A 502 (-3.5A)
 0.41A 3rc0A-5xxgA:
12.3		 3rc0A-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.
3RC0_B_SAMB480_0
(N-LYSINE
METHYLTRANSFERASE
SETD6)		 5xxg -
(-) 		6 / 12 GLY A  15
ASN A 205
HIS A 206
TYR A 239
TYR A 257
PHE A 259
 SAM  A 502 ( 3.9A)
SAM  A 502 (-3.1A)
None
8HR  A 501 ( 4.0A)
None
SAM  A 502 (-3.5A)
 0.48A 3rc0B-5xxgA:
6.6		 3rc0B-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.
3RC0_B_SAMB480_0
(N-LYSINE
METHYLTRANSFERASE
SETD6)		 5xxg -
(-) 		5 / 12 GLY A  17
HIS A 206
TYR A 239
TYR A 257
PHE A 259
 None
None
8HR  A 501 ( 4.0A)
None
SAM  A 502 (-3.5A)
 1.16A 3rc0B-5xxgA:
6.6		 3rc0B-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.
3RQ4_A_SAMA500_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H2)		 5xxg -
(-) 		5 / 12 ASN A 205
HIS A 206
TYR A 239
PHE A 259
CYH A 261
 SAM  A 502 (-3.1A)
None
8HR  A 501 ( 4.0A)
SAM  A 502 (-3.5A)
ZN  A 503 (-2.2A)
 1.07A 3rq4A-5xxgA:
7.2		 3rq4A-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.
3S7B_A_SAMA1000_0
(N-LYSINE
METHYLTRANSFERASE
SMYD2)		 5xxg -
(-) 		7 / 11 CYH A 180
ASN A 181
ASN A 205
HIS A 206
TYR A 239
TYR A 257
PHE A 259
 SAM  A 502 (-4.1A)
SAM  A 502 ( 4.1A)
SAM  A 502 (-3.1A)
None
8HR  A 501 ( 4.0A)
None
SAM  A 502 (-3.5A)
 0.44A 3s7bA-5xxgA:
43.1		 3s7bA-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.
3S7B_A_SAMA1000_0
(N-LYSINE
METHYLTRANSFERASE
SMYD2)		 5xxg -
(-) 		7 / 11 GLU A 130
CYH A 180
ASN A 181
ASN A 205
HIS A 206
TYR A 239
TYR A 257
 SAM  A 502 (-4.9A)
SAM  A 502 (-4.1A)
SAM  A 502 ( 4.1A)
SAM  A 502 (-3.1A)
None
8HR  A 501 ( 4.0A)
None
 0.70A 3s7bA-5xxgA:
43.1		 3s7bA-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.
3S7F_A_SAMA1000_0
(N-LYSINE
METHYLTRANSFERASE
SMYD2
P53 PEPTIDE)		 5xxg -
(-) 		7 / 12 CYH A 180
ASN A 181
ASN A 205
HIS A 206
TYR A 239
TYR A 257
PHE A 259
 SAM  A 502 (-4.1A)
SAM  A 502 ( 4.1A)
SAM  A 502 (-3.1A)
None
8HR  A 501 ( 4.0A)
None
SAM  A 502 (-3.5A)
 0.48A 3s7fA-5xxgA:
43.4
3s7fI-5xxgA:
undetectable		 3s7fA-5xxgA:
undetectable
3s7fI-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.
3S7F_A_SAMA1000_0
(N-LYSINE
METHYLTRANSFERASE
SMYD2
P53 PEPTIDE)		 5xxg -
(-) 		7 / 12 GLU A 130
CYH A 180
ASN A 181
ASN A 205
HIS A 206
TYR A 239
TYR A 257
 SAM  A 502 (-4.9A)
SAM  A 502 (-4.1A)
SAM  A 502 ( 4.1A)
SAM  A 502 (-3.1A)
None
8HR  A 501 ( 4.0A)
None
 0.69A 3s7fA-5xxgA:
43.4
3s7fI-5xxgA:
undetectable		 3s7fA-5xxgA:
undetectable
3s7fI-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.
3S7J_A_SAMA1000_0
(N-LYSINE
METHYLTRANSFERASE
SMYD2)		 5xxg -
(-) 		8 / 11 GLU A 130
CYH A 180
ASN A 181
ASN A 205
HIS A 206
TYR A 239
TYR A 257
PHE A 259
 SAM  A 502 (-4.9A)
SAM  A 502 (-4.1A)
SAM  A 502 ( 4.1A)
SAM  A 502 (-3.1A)
None
8HR  A 501 ( 4.0A)
None
SAM  A 502 (-3.5A)
 0.62A 3s7jA-5xxgA:
43.1		 3s7jA-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.
3S8P_A_SAMA500_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H1)		 5xxg -
(-) 		5 / 12 ASN A 205
HIS A 206
TYR A 239
PHE A 259
CYH A 261
 SAM  A 502 (-3.1A)
None
8HR  A 501 ( 4.0A)
SAM  A 502 (-3.5A)
ZN  A 503 (-2.2A)
 1.12A 3s8pA-5xxgA:
6.4		 3s8pA-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.
3TG4_A_SAMA434_0
(N-LYSINE
METHYLTRANSFERASE
SMYD2)		 5xxg -
(-) 		7 / 10 CYH A 180
ASN A 181
ASN A 205
HIS A 206
TYR A 239
TYR A 257
PHE A 259
 SAM  A 502 (-4.1A)
SAM  A 502 ( 4.1A)
SAM  A 502 (-3.1A)
None
8HR  A 501 ( 4.0A)
None
SAM  A 502 (-3.5A)
 0.46A 3tg4A-5xxgA:
44.0		 3tg4A-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.
4BUP_A_SAMA500_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H1)		 5xxg -
(-) 		5 / 12 ASN A 205
HIS A 206
TYR A 239
PHE A 259
CYH A 261
 SAM  A 502 (-3.1A)
None
8HR  A 501 ( 4.0A)
SAM  A 502 (-3.5A)
ZN  A 503 (-2.2A)
 1.16A 4bupA-5xxgA:
6.3		 4bupA-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.
4E47_A_SAMA401_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)		 5xxg -
(-) 		5 / 11 GLY A  15
ASN A 181
ASN A 205
HIS A 206
TYR A 239
 SAM  A 502 ( 3.9A)
SAM  A 502 ( 4.1A)
SAM  A 502 (-3.1A)
None
8HR  A 501 ( 4.0A)
 0.34A 4e47A-5xxgA:
6.8		 4e47A-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.
4E47_B_SAMB800_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)		 5xxg -
(-) 		5 / 11 GLY A  15
ASN A 181
ASN A 205
HIS A 206
TYR A 239
 SAM  A 502 ( 3.9A)
SAM  A 502 ( 4.1A)
SAM  A 502 (-3.1A)
None
8HR  A 501 ( 4.0A)
 0.32A 4e47B-5xxgA:
5.7		 4e47B-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.
4E47_C_SAMC800_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)		 5xxg -
(-) 		5 / 11 GLY A  15
ASN A 181
ASN A 205
HIS A 206
TYR A 239
 SAM  A 502 ( 3.9A)
SAM  A 502 ( 4.1A)
SAM  A 502 (-3.1A)
None
8HR  A 501 ( 4.0A)
 0.34A 4e47C-5xxgA:
6.9		 4e47C-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.
4IOM_A_FOLA608_0
(FORMATE--TETRAHYDROF
OLATE LIGASE)		 5xxg -
(-) 		4 / 7 ALA A  20
PRO A  23
LEU A  30
LEU A 235
 None
 0.86A 4iomA-5xxgA:
undetectable		 4iomA-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.
4JDS_A_SAMA401_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)		 5xxg -
(-) 		5 / 11 GLY A  15
ASN A 181
ASN A 205
HIS A 206
TYR A 239
 SAM  A 502 ( 3.9A)
SAM  A 502 ( 4.1A)
SAM  A 502 (-3.1A)
None
8HR  A 501 ( 4.0A)
 0.30A 4jdsA-5xxgA:
7.1		 4jdsA-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.
4JDS_B_SAMB401_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)		 5xxg -
(-) 		5 / 11 GLY A  15
ASN A 181
ASN A 205
HIS A 206
TYR A 239
 SAM  A 502 ( 3.9A)
SAM  A 502 ( 4.1A)
SAM  A 502 (-3.1A)
None
8HR  A 501 ( 4.0A)
 0.33A 4jdsB-5xxgA:
6.9		 4jdsB-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.
4JDS_C_SAMC401_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)		 5xxg -
(-) 		5 / 11 GLY A  15
ASN A 181
ASN A 205
HIS A 206
TYR A 239
 SAM  A 502 ( 3.9A)
SAM  A 502 ( 4.1A)
SAM  A 502 (-3.1A)
None
8HR  A 501 ( 4.0A)
 0.36A 4jdsC-5xxgA:
7.1		 4jdsC-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.
4JLG_A_SAMA401_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)		 5xxg -
(-) 		5 / 12 GLY A  15
ASN A 181
ASN A 205
HIS A 206
TYR A 239
 SAM  A 502 ( 3.9A)
SAM  A 502 ( 4.1A)
SAM  A 502 (-3.1A)
None
8HR  A 501 ( 4.0A)
 0.45A 4jlgA-5xxgA:
undetectable		 4jlgA-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.
4XI3_C_29SC601_1
(ESTROGEN RECEPTOR)		 5xxg -
(-) 		5 / 12 ALA A 174
LEU A 171
LEU A 105
LEU A 104
LEU A 112
 None
 1.08A 4xi3C-5xxgA:
undetectable		 4xi3C-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.
4YND_A_SAMA505_0
(N-LYSINE
METHYLTRANSFERASE
SMYD2)		 5xxg -
(-) 		7 / 10 CYH A 180
ASN A 181
ASN A 205
HIS A 206
TYR A 239
TYR A 257
PHE A 259
 SAM  A 502 (-4.1A)
SAM  A 502 ( 4.1A)
SAM  A 502 (-3.1A)
None
8HR  A 501 ( 4.0A)
None
SAM  A 502 (-3.5A)
 0.45A 4yndA-5xxgA:
43.6		 4yndA-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.
4YNM_A_SAMA2304_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
ASH1L)		 5xxg -
(-) 		5 / 12 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.
4YNM_B_SAMB2304_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
ASH1L)		 5xxg -
(-) 		5 / 12 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 4ynmB-5xxgA:
6.5		 4ynmB-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.
4YNP_B_SAMB2304_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
ASH1L)		 5xxg -
(-) 		5 / 10 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)
 0.62A 4ynpB-5xxgA:
6.5		 4ynpB-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.
4YPA_A_SAMA3004_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
ASH1L)		 5xxg -
(-) 		5 / 12 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)
 0.71A 4ypaA-5xxgA:
6.2		 4ypaA-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.
4YPA_B_SAMB2304_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
ASH1L)		 5xxg -
(-) 		5 / 12 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)
 0.63A 4ypaB-5xxgA:
6.2		 4ypaB-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.
4YPA_C_SAMC2304_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
ASH1L)		 5xxg -
(-) 		5 / 12 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)
 0.68A 4ypaC-5xxgA:
6.3		 4ypaC-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.
4YPA_D_SAMD2304_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
ASH1L)		 5xxg -
(-) 		5 / 12 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 4ypaD-5xxgA:
6.2		 4ypaD-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.
4YPE_A_SAMA2304_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
ASH1L)		 5xxg -
(-) 		5 / 12 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 4ypeA-5xxgA:
6.4		 4ypeA-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.
4YPE_B_SAMB2304_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
ASH1L)		 5xxg -
(-) 		5 / 11 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)
 0.60A 4ypeB-5xxgA:
6.6		 4ypeB-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.
4YPU_A_SAMA2304_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
ASH1L)		 5xxg -
(-) 		5 / 12 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 4ypuA-5xxgA:
6.2		 4ypuA-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.
5ARF_A_SAMA1002_0
(N-LYSINE
METHYLTRANSFERASE
SMYD2)		 5xxg -
(-) 		8 / 12 GLY A  15
GLU A 130
CYH A 180
ASN A 181
HIS A 206
TYR A 239
TYR A 257
PHE A 259
 SAM  A 502 ( 3.9A)
SAM  A 502 (-4.9A)
SAM  A 502 (-4.1A)
SAM  A 502 ( 4.1A)
None
8HR  A 501 ( 4.0A)
None
SAM  A 502 (-3.5A)
 0.48A 5arfA-5xxgA:
43.9		 5arfA-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.
5ARF_A_SAMA1002_0
(N-LYSINE
METHYLTRANSFERASE
SMYD2)		 5xxg -
(-) 		5 / 12 GLY A  17
ASN A 181
HIS A 206
TYR A 239
TYR A 257
 None
SAM  A 502 ( 4.1A)
None
8HR  A 501 ( 4.0A)
None
 1.11A 5arfA-5xxgA:
43.9		 5arfA-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.
5ARG_A_SAMA1434_0
(N-LYSINE
METHYLTRANSFERASE
SMYD2)		 5xxg -
(-) 		8 / 11 GLU A 130
CYH A 180
ASN A 181
ASN A 205
HIS A 206
TYR A 239
TYR A 257
PHE A 259
 SAM  A 502 (-4.9A)
SAM  A 502 (-4.1A)
SAM  A 502 ( 4.1A)
SAM  A 502 (-3.1A)
None
8HR  A 501 ( 4.0A)
None
SAM  A 502 (-3.5A)
 0.44A 5argA-5xxgA:
44.0		 5argA-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.
5AYF_A_SAMA401_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)		 5xxg -
(-) 		5 / 11 GLY A  15
ASN A 181
ASN A 205
HIS A 206
TYR A 239
 SAM  A 502 ( 3.9A)
SAM  A 502 ( 4.1A)
SAM  A 502 (-3.1A)
None
8HR  A 501 ( 4.0A)
 0.36A 5ayfA-5xxgA:
6.9		 5ayfA-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.
5CCL_A_SAMA504_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SMYD3)		 5xxg -
(-) 		12 / 12 ARG A  14
GLY A  15
ASN A  16
GLU A 130
ASN A 132
CYH A 180
ASN A 181
ASN A 205
HIS A 206
TYR A 239
TYR A 257
PHE A 259
 SAM  A 502 (-4.8A)
SAM  A 502 ( 3.9A)
SAM  A 502 (-4.4A)
SAM  A 502 (-4.9A)
SAM  A 502 (-3.2A)
SAM  A 502 (-4.1A)
SAM  A 502 ( 4.1A)
SAM  A 502 (-3.1A)
None
8HR  A 501 ( 4.0A)
None
SAM  A 502 (-3.5A)
 0.59A 5cclA-5xxgA:
62.5		 5cclA-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.
5CCL_A_SAMA504_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SMYD3)		 5xxg -
(-) 		5 / 12 GLU A 130
ASN A 132
CYH A 180
ASN A 181
ASN A  16
 SAM  A 502 (-4.9A)
SAM  A 502 (-3.2A)
SAM  A 502 (-4.1A)
SAM  A 502 ( 4.1A)
SAM  A 502 (-4.4A)
 1.46A 5cclA-5xxgA:
62.5		 5cclA-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.
5CCM_A_SAMA504_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SMYD3)		 5xxg -
(-) 		12 / 12 ARG A  14
GLY A  15
ASN A  16
TYR A 124
GLU A 130
ASN A 132
ASN A 181
ASN A 205
HIS A 206
TYR A 239
TYR A 257
PHE A 259
 SAM  A 502 (-4.8A)
SAM  A 502 ( 3.9A)
SAM  A 502 (-4.4A)
SAM  A 502 (-4.4A)
SAM  A 502 (-4.9A)
SAM  A 502 (-3.2A)
SAM  A 502 ( 4.1A)
SAM  A 502 (-3.1A)
None
8HR  A 501 ( 4.0A)
None
SAM  A 502 (-3.5A)
 0.26A 5ccmA-5xxgA:
64.1		 5ccmA-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.
5IEO_A_VDYA206_1
(CDL2.3A)		 5xxg -
(-) 		5 / 12 LEU A  36
PHE A 126
LEU A 171
LEU A 165
PHE A 110
 None
 1.28A 5ieoA-5xxgA:
undetectable		 5ieoA-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.
5KJK_A_SAMA501_0
(N-LYSINE
METHYLTRANSFERASE
SMYD2)		 5xxg -
(-) 		7 / 11 CYH A 180
ASN A 181
ASN A 205
HIS A 206
TYR A 239
TYR A 257
PHE A 259
 SAM  A 502 (-4.1A)
SAM  A 502 ( 4.1A)
SAM  A 502 (-3.1A)
None
8HR  A 501 ( 4.0A)
None
SAM  A 502 (-3.5A)
 0.45A 5kjkA-5xxgA:
43.3		 5kjkA-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.
5KJK_A_SAMA501_0
(N-LYSINE
METHYLTRANSFERASE
SMYD2)		 5xxg -
(-) 		6 / 11 GLU A 130
CYH A 180
ASN A 181
ASN A 205
HIS A 206
TYR A 257
 SAM  A 502 (-4.9A)
SAM  A 502 (-4.1A)
SAM  A 502 ( 4.1A)
SAM  A 502 (-3.1A)
None
None
 0.74A 5kjkA-5xxgA:
43.3		 5kjkA-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.
5KJL_A_SAMA501_0
(N-LYSINE
METHYLTRANSFERASE
SMYD2)		 5xxg -
(-) 		7 / 11 CYH A 180
ASN A 181
ASN A 205
HIS A 206
TYR A 239
TYR A 257
PHE A 259
 SAM  A 502 (-4.1A)
SAM  A 502 ( 4.1A)
SAM  A 502 (-3.1A)
None
8HR  A 501 ( 4.0A)
None
SAM  A 502 (-3.5A)
 0.49A 5kjlA-5xxgA:
43.2		 5kjlA-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.
5KJL_A_SAMA501_0
(N-LYSINE
METHYLTRANSFERASE
SMYD2)		 5xxg -
(-) 		7 / 11 GLU A 130
CYH A 180
ASN A 181
ASN A 205
HIS A 206
TYR A 239
TYR A 257
 SAM  A 502 (-4.9A)
SAM  A 502 (-4.1A)
SAM  A 502 ( 4.1A)
SAM  A 502 (-3.1A)
None
8HR  A 501 ( 4.0A)
None
 0.71A 5kjlA-5xxgA:
43.2		 5kjlA-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.
5KJM_A_SAMA501_0
(N-LYSINE
METHYLTRANSFERASE
SMYD2)		 5xxg -
(-) 		8 / 11 GLU A 130
CYH A 180
ASN A 181
ASN A 205
HIS A 206
TYR A 239
TYR A 257
PHE A 259
 SAM  A 502 (-4.9A)
SAM  A 502 (-4.1A)
SAM  A 502 ( 4.1A)
SAM  A 502 (-3.1A)
None
8HR  A 501 ( 4.0A)
None
SAM  A 502 (-3.5A)
 0.67A 5kjmA-5xxgA:
43.2		 5kjmA-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.
5KJN_A_SAMA501_0
(N-LYSINE
METHYLTRANSFERASE
SMYD2)		 5xxg -
(-) 		8 / 11 GLU A 130
CYH A 180
ASN A 181
ASN A 205
HIS A 206
TYR A 239
TYR A 257
PHE A 259
 SAM  A 502 (-4.9A)
SAM  A 502 (-4.1A)
SAM  A 502 ( 4.1A)
SAM  A 502 (-3.1A)
None
8HR  A 501 ( 4.0A)
None
SAM  A 502 (-3.5A)
 0.58A 5kjnA-5xxgA:
42.9		 5kjnA-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.
5LSU_B_SAMB1304_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
NSD2)		 5xxg -
(-) 		3 / 3 ASN A 205
TYR A 239
CYH A 261
 SAM  A 502 (-3.1A)
8HR  A 501 ( 4.0A)
ZN  A 503 (-2.2A)
 0.56A 5lsuB-5xxgA:
5.9		 5lsuB-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.
5T0K_A_SAMA1304_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT2)		 5xxg -
(-) 		5 / 12 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)
 0.69A 5t0kA-5xxgA:
5.9		 5t0kA-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.
5T0K_B_SAMB1304_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT2)		 5xxg -
(-) 		5 / 12 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)
 0.69A 5t0kB-5xxgA:
5.7		 5t0kB-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.
5TEG_B_SAMB401_0
(HISTONE H4 MUTANT
PEPTIDE WITH
H4K20NORLEUCINE
N-LYSINE
METHYLTRANSFERASE
KMT5A)		 5xxg -
(-) 		5 / 10 GLY A  15
LEU A 203
ASN A 205
HIS A 206
TYR A 239
 SAM  A 502 ( 3.9A)
None
SAM  A 502 (-3.1A)
None
8HR  A 501 ( 4.0A)
 0.51A 5tegB-5xxgA:
7.7
5tegE-5xxgA:
undetectable		 5tegB-5xxgA:
undetectable
5tegE-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.
5TTF_A_SAMA1505_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT2)		 5xxg -
(-) 		5 / 11 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)
 0.64A 5ttfA-5xxgA:
5.8		 5ttfA-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.
5TTF_B_SAMB1505_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT2)		 5xxg -
(-) 		5 / 12 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)
 0.60A 5ttfB-5xxgA:
5.9		 5ttfB-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.
5TTF_C_SAMC1505_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT2)		 5xxg -
(-) 		5 / 12 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)
 0.51A 5ttfC-5xxgA:
6.0		 5ttfC-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.
5TTF_D_SAMD1505_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT2)		 5xxg -
(-) 		5 / 11 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)
 0.47A 5ttfD-5xxgA:
6.4		 5ttfD-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.
5TTG_A_SAMA1301_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT1)		 5xxg -
(-) 		5 / 12 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)
 0.53A 5ttgA-5xxgA:
6.3		 5ttgA-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.
5TTG_B_SAMB1301_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT1)		 5xxg -
(-) 		5 / 11 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)
 0.53A 5ttgB-5xxgA:
6.3		 5ttgB-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.
5TUY_A_SAMA1505_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT2)		 5xxg -
(-) 		5 / 12 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)
 0.61A 5tuyA-5xxgA:
5.9		 5tuyA-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.
5TUY_B_SAMB1505_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT2)		 5xxg -
(-) 		5 / 12 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)
 0.73A 5tuyB-5xxgA:
6.4		 5tuyB-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.
5TUZ_A_SAMA3001_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT1)		 5xxg -
(-) 		5 / 12 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)
 0.53A 5tuzA-5xxgA:
6.4		 5tuzA-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.
5TUZ_B_SAMB3001_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT1)		 5xxg -
(-) 		5 / 12 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)
 0.56A 5tuzB-5xxgA:
6.3		 5tuzB-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.
5V21_A_SAMA1804_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD2)		 5xxg -
(-) 		5 / 12 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)
 0.68A 5v21A-5xxgA:
5.9		 5v21A-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.
5V37_A_SAMA504_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SMYD3)		 5xxg -
(-) 		12 / 12 ARG A  14
GLY A  15
ASN A  16
GLU A 130
ASN A 132
CYH A 180
ASN A 181
ASN A 205
HIS A 206
TYR A 239
TYR A 257
PHE A 259
 SAM  A 502 (-4.8A)
SAM  A 502 ( 3.9A)
SAM  A 502 (-4.4A)
SAM  A 502 (-4.9A)
SAM  A 502 (-3.2A)
SAM  A 502 (-4.1A)
SAM  A 502 ( 4.1A)
SAM  A 502 (-3.1A)
None
8HR  A 501 ( 4.0A)
None
SAM  A 502 (-3.5A)
 0.54A 5v37A-5xxgA:
64.0		 5v37A-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.
5V3H_A_SAMA501_0
(N-LYSINE
METHYLTRANSFERASE
SMYD2)		 5xxg -
(-) 		7 / 10 GLU A 130
CYH A 180
ASN A 181
ASN A 205
HIS A 206
TYR A 239
PHE A 259
 SAM  A 502 (-4.9A)
SAM  A 502 (-4.1A)
SAM  A 502 ( 4.1A)
SAM  A 502 (-3.1A)
None
8HR  A 501 ( 4.0A)
SAM  A 502 (-3.5A)
 0.59A 5v3hA-5xxgA:
39.9		 5v3hA-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.
5V9I_A_SAMA1505_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT2)		 5xxg -
(-) 		5 / 12 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)
 0.63A 5v9iA-5xxgA:
5.8		 5v9iA-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.
5V9I_B_SAMB1505_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT2)		 5xxg -
(-) 		5 / 11 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)
 0.60A 5v9iB-5xxgA:
5.9		 5v9iB-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.
5V9I_C_SAMC1505_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT2)		 5xxg -
(-) 		5 / 11 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)
 0.49A 5v9iC-5xxgA:
5.8		 5v9iC-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.
5V9J_A_SAMA1301_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT1)		 5xxg -
(-) 		5 / 12 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)
 0.53A 5v9jA-5xxgA:
6.4		 5v9jA-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.
5V9J_B_SAMB1301_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT1)		 5xxg -
(-) 		5 / 12 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)
 0.52A 5v9jB-5xxgA:
5.7		 5v9jB-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.
5VSC_A_SAMA1505_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT2)		 5xxg -
(-) 		5 / 12 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)
 0.68A 5vscA-5xxgA:
5.6		 5vscA-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.
5VSC_B_SAMB1505_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT2)		 5xxg -
(-) 		5 / 12 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)
 0.69A 5vscB-5xxgA:
6.3		 5vscB-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.
5VSD_A_SAMA3001_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT1)		 5xxg -
(-) 		5 / 12 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)
 0.53A 5vsdA-5xxgA:
6.4		 5vsdA-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.
5VSD_B_SAMB3001_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT1)		 5xxg -
(-) 		5 / 12 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)
 0.54A 5vsdB-5xxgA:
6.4		 5vsdB-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.
5VSE_A_SAMA1505_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT2)		 5xxg -
(-) 		5 / 12 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)
 0.69A 5vseA-5xxgA:
5.9		 5vseA-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.
5VSE_B_SAMB1505_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT2)		 5xxg -
(-) 		5 / 12 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)
 0.70A 5vseB-5xxgA:
5.8		 5vseB-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.
5VSF_A_SAMA3001_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT1)		 5xxg -
(-) 		5 / 12 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)
 0.54A 5vsfA-5xxgA:
6.4		 5vsfA-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.
5VSF_B_SAMB3001_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT1)		 5xxg -
(-) 		5 / 12 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)
 0.56A 5vsfB-5xxgA:
6.4		 5vsfB-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.
5XXD_A_SAMA501_0
(SMYD3
METHYLTRANSFERASE)		 5xxg -
(-) 		12 / 12 ARG A  14
GLY A  15
ASN A  16
TYR A 124
GLU A 130
CYH A 180
ASN A 181
ASN A 205
HIS A 206
TYR A 239
TYR A 257
PHE A 259
 SAM  A 502 (-4.8A)
SAM  A 502 ( 3.9A)
SAM  A 502 (-4.4A)
SAM  A 502 (-4.4A)
SAM  A 502 (-4.9A)
SAM  A 502 (-4.1A)
SAM  A 502 ( 4.1A)
SAM  A 502 (-3.1A)
None
8HR  A 501 ( 4.0A)
None
SAM  A 502 (-3.5A)
 0.34A 5xxdA-5xxgA:
64.6		 5xxdA-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.
5XXG_A_SAMA502_0
(SMYD3)		 5xxg -
(-) 		12 / 12 ARG A  14
GLY A  15
ASN A  16
GLU A 130
ASN A 132
CYH A 180
ASN A 181
ASN A 205
HIS A 206
TYR A 239
TYR A 257
PHE A 259
 SAM  A 502 (-4.8A)
SAM  A 502 ( 3.9A)
SAM  A 502 (-4.4A)
SAM  A 502 (-4.9A)
SAM  A 502 (-3.2A)
SAM  A 502 (-4.1A)
SAM  A 502 ( 4.1A)
SAM  A 502 (-3.1A)
None
8HR  A 501 ( 4.0A)
None
SAM  A 502 (-3.5A)
 0.05A 5xxgA-5xxgA:
67.2		 5xxgA-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.
5XXJ_A_SAMA505_0
(SMYD3)		 5xxg -
(-) 		12 / 12 ARG A  14
GLY A  15
ASN A  16
GLU A 130
ASN A 132
CYH A 180
ASN A 181
ASN A 205
HIS A 206
TYR A 239
TYR A 257
PHE A 259
 SAM  A 502 (-4.8A)
SAM  A 502 ( 3.9A)
SAM  A 502 (-4.4A)
SAM  A 502 (-4.9A)
SAM  A 502 (-3.2A)
SAM  A 502 (-4.1A)
SAM  A 502 ( 4.1A)
SAM  A 502 (-3.1A)
None
8HR  A 501 ( 4.0A)
None
SAM  A 502 (-3.5A)
 0.15A 5xxjA-5xxgA:
65.1		 5xxjA-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.
5YJO_A_SAMA505_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SMYD3)		 5xxg -
(-) 		12 / 12 ARG A  14
GLY A  15
ASN A  16
TYR A 124
GLU A 130
CYH A 180
ASN A 181
ASN A 205
HIS A 206
TYR A 239
TYR A 257
PHE A 259
 SAM  A 502 (-4.8A)
SAM  A 502 ( 3.9A)
SAM  A 502 (-4.4A)
SAM  A 502 (-4.4A)
SAM  A 502 (-4.9A)
SAM  A 502 (-4.1A)
SAM  A 502 ( 4.1A)
SAM  A 502 (-3.1A)
None
8HR  A 501 ( 4.0A)
None
SAM  A 502 (-3.5A)
 0.14A 5yjoA-5xxgA:
65.4		 5yjoA-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.
6A5K_A_SAMA805_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-9 SPECIFIC
SUVH6)		 5xxg -
(-) 		5 / 12 ARG A  14
GLU A 130
ASN A 205
HIS A 206
TYR A 239
 SAM  A 502 (-4.8A)
SAM  A 502 (-4.9A)
SAM  A 502 (-3.1A)
None
8HR  A 501 ( 4.0A)
 1.16A 6a5kA-5xxgA:
6.1		 6a5kA-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.
6A5K_A_SAMA805_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-9 SPECIFIC
SUVH6)		 5xxg -
(-) 		5 / 12 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 6a5kA-5xxgA:
6.1		 6a5kA-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.
6A5K_A_SAMA805_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-9 SPECIFIC
SUVH6)		 5xxg -
(-) 		5 / 12 GLY A  46
HIS A  83
CYH A  65
CYH A  62
LEU A  90
 None
ZN  A 505 (-3.3A)
ZN  A 505 (-2.3A)
ZN  A 505 (-2.3A)
None
 1.20A 6a5kA-5xxgA:
6.1		 6a5kA-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.
6A5M_A_SAMA805_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-9 SPECIFIC
SUVH6)		 5xxg -
(-) 		5 / 12 ARG A  14
ASN A 205
HIS A 206
TYR A 239
CYH A 261
 SAM  A 502 (-4.8A)
SAM  A 502 (-3.1A)
None
8HR  A 501 ( 4.0A)
ZN  A 503 (-2.2A)
 0.85A 6a5mA-5xxgA:
5.4		 6a5mA-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.
6A5M_A_SAMA805_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-9 SPECIFIC
SUVH6)		 5xxg -
(-) 		5 / 12 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)
 0.62A 6a5mA-5xxgA:
5.4		 6a5mA-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.
6A5M_A_SAMA805_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-9 SPECIFIC
SUVH6)		 5xxg -
(-) 		5 / 12 GLY A  46
HIS A  83
CYH A  65
CYH A  62
LEU A  90
 None
ZN  A 505 (-3.3A)
ZN  A 505 (-2.3A)
ZN  A 505 (-2.3A)
None
 1.24A 6a5mA-5xxgA:
5.4		 6a5mA-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.
6AGO_A_SAMA2301_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
ASH1L)		 5xxg -
(-) 		5 / 11 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)
 1.09A 6agoA-5xxgA:
6.3		 6agoA-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.
6B52_A_OAQA302_0
(SULFOTRANSFERASE)		 5xxg -
(-) 		5 / 12 ILE A 159
VAL A 102
LEU A 165
PHE A 110
LEU A 171
 None
 1.18A 6b52A-5xxgA:
undetectable		 6b52A-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.
6INE_A_SAMA2304_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
ASH1L)		 5xxg -
(-) 		5 / 12 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