SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '1sus'

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.
1H1D_A_SAMA301_0
(CATECHOL-O-METHYLTRA
NSFERASE)
1sus CAFFEOYL-COA
O-METHYLTRANSFERASE

(Medicago
sativa)
5 / 12 MET A  61
GLY A  87
TYR A  89
TYR A  92
ASN A 113
SPF  A 401 (-4.1A)
SAH  A 301 (-3.4A)
SAH  A 301 (-4.7A)
None
None
0.72A 1h1dA-1susA:
21.3
1h1dA-1susA:
25.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HPV_B_478B200_1
(HIV-1 PROTEASE)
1sus CAFFEOYL-COA
O-METHYLTRANSFERASE

(Medicago
sativa)
5 / 9 LEU A  94
GLY A  87
ILE A 240
GLY A 187
ILE A 160
None
SAH  A 301 (-3.4A)
None
None
None
0.97A 1hpvA-1susA:
undetectable
1hpvA-1susA:
19.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1S9P_A_DESA459_1
(ESTROGEN-RELATED
RECEPTOR GAMMA)
1sus CAFFEOYL-COA
O-METHYLTRANSFERASE

(Medicago
sativa)
5 / 12 LEU A 179
LEU A 176
LEU A 170
LEU A 141
ILE A 148
None
0.88A 1s9pA-1susA:
undetectable
1s9pA-1susA:
24.90
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.
1S9P_D_DESD600_1
(ESTROGEN-RELATED
RECEPTOR GAMMA)
1sus CAFFEOYL-COA
O-METHYLTRANSFERASE

(Medicago
sativa)
5 / 12 LEU A 179
LEU A 176
LEU A 170
LEU A 141
ILE A 148
None
1.13A 1s9pD-1susA:
undetectable
1s9pD-1susA:
24.90
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.
1S9Q_A_CHDA459_0
(ESTROGEN-RELATED
RECEPTOR GAMMA)
1sus CAFFEOYL-COA
O-METHYLTRANSFERASE

(Medicago
sativa)
4 / 6 ASP A 178
LEU A 179
VAL A 180
ILE A 160
None
0.99A 1s9qA-1susA:
undetectable
1s9qA-1susA:
23.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1T3R_A_017A1200_1
(PROTEASE RETROPEPSIN)
1sus CAFFEOYL-COA
O-METHYLTRANSFERASE

(Medicago
sativa)
5 / 10 LEU A  94
GLY A  87
ILE A 240
GLY A 187
ILE A 160
None
SAH  A 301 (-3.4A)
None
None
None
0.93A 1t3rA-1susA:
undetectable
1t3rA-1susA:
17.21
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.
1VID_A_SAMA301_0
(CATECHOL
O-METHYLTRANSFERASE)
1sus CAFFEOYL-COA
O-METHYLTRANSFERASE

(Medicago
sativa)
6 / 12 MET A  61
GLU A  85
GLY A  87
TYR A  89
TYR A  92
ASN A 113
SPF  A 401 (-4.1A)
SAH  A 301 (-4.1A)
SAH  A 301 (-3.4A)
SAH  A 301 (-4.7A)
None
None
0.78A 1vidA-1susA:
21.3
1vidA-1susA:
25.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1Y7I_A_SALA502_1
(SALICYLIC
ACID-BINDING PROTEIN
2)
1sus CAFFEOYL-COA
O-METHYLTRANSFERASE

(Medicago
sativa)
3 / 3 LEU A 170
HIS A 173
LYS A 174
None
1.05A 1y7iA-1susA:
1.3
1y7iA-1susA:
20.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2AVD_A_SAMA501_0
(CATECHOL-O-METHYLTRA
NSFERASE)
1sus CAFFEOYL-COA
O-METHYLTRANSFERASE

(Medicago
sativa)
6 / 12 GLY A  87
TYR A  92
ALA A 140
ALA A 164
ASP A 165
TYR A 172
SAH  A 301 (-3.4A)
None
SAH  A 301 (-3.9A)
SAH  A 301 ( 3.7A)
SAH  A 301 ( 2.8A)
None
0.75A 2avdA-1susA:
29.6
2avdA-1susA:
34.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2AVD_A_SAMA501_0
(CATECHOL-O-METHYLTRA
NSFERASE)
1sus CAFFEOYL-COA
O-METHYLTRANSFERASE

(Medicago
sativa)
6 / 12 GLY A  87
TYR A  92
SER A  93
ALA A 164
ASP A 165
TYR A 172
SAH  A 301 (-3.4A)
None
SAH  A 301 (-2.7A)
SAH  A 301 ( 3.7A)
SAH  A 301 ( 2.8A)
None
0.77A 2avdA-1susA:
29.6
2avdA-1susA:
34.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2AVD_B_SAMB601_0
(CATECHOL-O-METHYLTRA
NSFERASE)
1sus CAFFEOYL-COA
O-METHYLTRANSFERASE

(Medicago
sativa)
6 / 12 GLY A  87
TYR A  92
ALA A 140
ASP A 163
ALA A 164
TYR A 172
SAH  A 301 (-3.4A)
None
SAH  A 301 (-3.9A)
CA  A 305 (-2.5A)
SAH  A 301 ( 3.7A)
None
0.61A 2avdB-1susA:
29.9
2avdB-1susA:
34.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2BR4_A_SAMA301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)
1sus CAFFEOYL-COA
O-METHYLTRANSFERASE

(Medicago
sativa)
5 / 12 GLY A  87
TYR A  89
SER A  93
ASP A 163
ALA A 164
SAH  A 301 (-3.4A)
SAH  A 301 (-4.7A)
SAH  A 301 (-2.7A)
CA  A 305 (-2.5A)
SAH  A 301 ( 3.7A)
0.79A 2br4A-1susA:
13.5
2br4A-1susA:
21.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2BR4_D_SAMD301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)
1sus CAFFEOYL-COA
O-METHYLTRANSFERASE

(Medicago
sativa)
6 / 12 GLU A  85
GLY A  87
TYR A  89
SER A  93
ASP A 111
ALA A 164
SAH  A 301 (-4.1A)
SAH  A 301 (-3.4A)
SAH  A 301 (-4.7A)
SAH  A 301 (-2.7A)
SAH  A 301 (-2.8A)
SAH  A 301 ( 3.7A)
1.10A 2br4D-1susA:
13.2
2br4D-1susA:
21.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2BR4_F_SAMF301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)
1sus CAFFEOYL-COA
O-METHYLTRANSFERASE

(Medicago
sativa)
5 / 12 GLY A  87
TYR A  89
SER A  93
ASP A 163
ALA A 164
SAH  A 301 (-3.4A)
SAH  A 301 (-4.7A)
SAH  A 301 (-2.7A)
CA  A 305 (-2.5A)
SAH  A 301 ( 3.7A)
0.82A 2br4F-1susA:
13.2
2br4F-1susA:
21.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2CL5_A_SAMA1217_0
(CATECHOL
O-METHYLTRANSFERASE)
1sus CAFFEOYL-COA
O-METHYLTRANSFERASE

(Medicago
sativa)
5 / 12 MET A  61
GLY A  87
TYR A  89
TYR A  92
ASN A 113
SPF  A 401 (-4.1A)
SAH  A 301 (-3.4A)
SAH  A 301 (-4.7A)
None
None
0.73A 2cl5A-1susA:
21.4
2cl5A-1susA:
25.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2CL5_B_SAMB1217_0
(CATECHOL
O-METHYLTRANSFERASE)
1sus CAFFEOYL-COA
O-METHYLTRANSFERASE

(Medicago
sativa)
6 / 12 MET A  61
GLU A  85
GLY A  87
TYR A  89
TYR A  92
ASN A 113
SPF  A 401 (-4.1A)
SAH  A 301 (-4.1A)
SAH  A 301 (-3.4A)
SAH  A 301 (-4.7A)
None
None
0.76A 2cl5B-1susA:
21.7
2cl5B-1susA:
25.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2UYQ_A_SAMA1311_0
(HYPOTHETICAL PROTEIN
ML2640)
1sus CAFFEOYL-COA
O-METHYLTRANSFERASE

(Medicago
sativa)
4 / 7 ALA A 140
GLY A 138
ASP A 145
LEU A 144
SAH  A 301 (-3.9A)
None
None
None
0.75A 2uyqA-1susA:
10.6
2uyqA-1susA:
23.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZM9_A_ACAA502_1
(6-AMINOHEXANOATE-DIM
ER HYDROLASE)
1sus CAFFEOYL-COA
O-METHYLTRANSFERASE

(Medicago
sativa)
4 / 8 MET A 110
TYR A 172
GLY A  87
ILE A  86
None
None
SAH  A 301 (-3.4A)
None
0.80A 2zm9A-1susA:
0.0
2zm9A-1susA:
21.66
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.
2ZVJ_A_SAMA301_0
(CATECHOL
O-METHYLTRANSFERASE)
1sus CAFFEOYL-COA
O-METHYLTRANSFERASE

(Medicago
sativa)
6 / 12 MET A  61
GLU A  85
GLY A  87
TYR A  89
TYR A  92
ASN A 113
SPF  A 401 (-4.1A)
SAH  A 301 (-4.1A)
SAH  A 301 (-3.4A)
SAH  A 301 (-4.7A)
None
None
0.77A 2zvjA-1susA:
21.7
2zvjA-1susA:
25.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3A7E_A_SAMA216_0
(CATECHOL
O-METHYLTRANSFERASE)
1sus CAFFEOYL-COA
O-METHYLTRANSFERASE

(Medicago
sativa)
5 / 12 MET A  61
GLU A  85
TYR A  89
TYR A  92
ASN A 113
SPF  A 401 (-4.1A)
SAH  A 301 (-4.1A)
SAH  A 301 (-4.7A)
None
None
0.90A 3a7eA-1susA:
21.5
3a7eA-1susA:
25.00
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.
3A7E_A_SAMA216_1
(CATECHOL
O-METHYLTRANSFERASE)
1sus CAFFEOYL-COA
O-METHYLTRANSFERASE

(Medicago
sativa)
4 / 6 GLY A  87
SER A  93
ILE A 112
ASP A 163
SAH  A 301 (-3.4A)
SAH  A 301 (-2.7A)
SAH  A 301 (-4.0A)
CA  A 305 (-2.5A)
0.52A 3a7eA-1susA:
21.5
3a7eA-1susA:
25.00
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.
3BWM_A_SAMA301_0
(CATECHOL
O-METHYLTRANSFERASE)
1sus CAFFEOYL-COA
O-METHYLTRANSFERASE

(Medicago
sativa)
6 / 12 MET A  61
GLY A  87
TYR A  89
TYR A  92
ILE A 112
ASN A 113
SPF  A 401 (-4.1A)
SAH  A 301 (-3.4A)
SAH  A 301 (-4.7A)
None
SAH  A 301 (-4.0A)
None
0.74A 3bwmA-1susA:
21.0
3bwmA-1susA:
24.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BWY_A_SAMA301_0
(COMT PROTEIN)
1sus CAFFEOYL-COA
O-METHYLTRANSFERASE

(Medicago
sativa)
6 / 12 MET A  61
GLU A  85
GLY A  87
TYR A  89
TYR A  92
ILE A 112
SPF  A 401 (-4.1A)
SAH  A 301 (-4.1A)
SAH  A 301 (-3.4A)
SAH  A 301 (-4.7A)
None
SAH  A 301 (-4.0A)
0.80A 3bwyA-1susA:
21.0
3bwyA-1susA:
24.30
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.
3LZV_A_017A200_1
(HIV-1 PROTEASE)
1sus CAFFEOYL-COA
O-METHYLTRANSFERASE

(Medicago
sativa)
5 / 10 LEU A  94
GLY A  87
ILE A 240
GLY A 187
ILE A 160
None
SAH  A 301 (-3.4A)
None
None
None
0.93A 3lzvA-1susA:
undetectable
3lzvA-1susA:
17.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3O94_A_NCAA192_0
(NICOTINAMIDASE)
1sus CAFFEOYL-COA
O-METHYLTRANSFERASE

(Medicago
sativa)
5 / 11 PHE A 161
LEU A  71
ASP A 189
PHE A  70
ILE A 242
None
None
CA  A 305 (-3.2A)
None
None
1.21A 3o94A-1susA:
3.2
3o94A-1susA:
21.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3O94_B_NCAB192_0
(NICOTINAMIDASE)
1sus CAFFEOYL-COA
O-METHYLTRANSFERASE

(Medicago
sativa)
5 / 11 PHE A 161
LEU A  71
ASP A 189
PHE A  70
ILE A 242
None
None
CA  A 305 (-3.2A)
None
None
1.22A 3o94B-1susA:
3.1
3o94B-1susA:
21.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3O94_C_NCAC192_0
(NICOTINAMIDASE)
1sus CAFFEOYL-COA
O-METHYLTRANSFERASE

(Medicago
sativa)
5 / 11 PHE A 161
LEU A  71
ASP A 189
PHE A  70
ILE A 242
None
None
CA  A 305 (-3.2A)
None
None
1.24A 3o94C-1susA:
4.0
3o94C-1susA:
21.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3O94_D_NCAD192_0
(NICOTINAMIDASE)
1sus CAFFEOYL-COA
O-METHYLTRANSFERASE

(Medicago
sativa)
5 / 11 PHE A 161
LEU A  71
ASP A 189
PHE A  70
ILE A 242
None
None
CA  A 305 (-3.2A)
None
None
1.25A 3o94D-1susA:
2.6
3o94D-1susA:
21.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3PWW_A_ROCA1001_1
(ENDOTHIAPEPSIN)
1sus CAFFEOYL-COA
O-METHYLTRANSFERASE

(Medicago
sativa)
5 / 12 ILE A  78
ASP A 158
LEU A  71
ILE A 124
ILE A 133
None
1.02A 3pwwA-1susA:
undetectable
3pwwA-1susA:
19.66
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.
3S68_A_SAMA228_0
(CATECHOL
O-METHYLTRANSFERASE)
1sus CAFFEOYL-COA
O-METHYLTRANSFERASE

(Medicago
sativa)
6 / 10 MET A  61
GLU A  85
GLY A  87
TYR A  89
SER A  93
ASP A 163
SPF  A 401 (-4.1A)
SAH  A 301 (-4.1A)
SAH  A 301 (-3.4A)
SAH  A 301 (-4.7A)
SAH  A 301 (-2.7A)
CA  A 305 (-2.5A)
0.61A 3s68A-1susA:
20.8
3s68A-1susA:
25.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3S68_A_TCWA227_1
(CATECHOL
O-METHYLTRANSFERASE)
1sus CAFFEOYL-COA
O-METHYLTRANSFERASE

(Medicago
sativa)
5 / 10 MET A  61
ASP A 163
LYS A 166
ASP A 189
ASN A 190
SPF  A 401 (-4.1A)
CA  A 305 (-2.5A)
SPF  A 401 (-3.8A)
CA  A 305 (-3.2A)
CA  A 305 (-2.9A)
0.74A 3s68A-1susA:
20.8
3s68A-1susA:
25.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UJ6_A_SAMA300_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE)
1sus CAFFEOYL-COA
O-METHYLTRANSFERASE

(Medicago
sativa)
5 / 12 ILE A 177
GLY A 184
CYH A 243
ILE A 229
ILE A  78
None
1.05A 3uj6A-1susA:
13.3
3uj6A-1susA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4A97_A_ZPCA1318_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)
1sus CAFFEOYL-COA
O-METHYLTRANSFERASE

(Medicago
sativa)
4 / 7 GLU A  85
ILE A 107
HIS A  43
VAL A  38
SAH  A 301 (-4.1A)
None
None
None
0.97A 4a97A-1susA:
undetectable
4a97A-1susA:
20.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4A97_D_ZPCD1318_2
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)
1sus CAFFEOYL-COA
O-METHYLTRANSFERASE

(Medicago
sativa)
4 / 7 GLU A  85
ILE A 107
HIS A  43
VAL A  38
SAH  A 301 (-4.1A)
None
None
None
1.06A 4a97D-1susA:
undetectable
4a97D-1susA:
20.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4A97_H_ZPCH1318_2
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)
1sus CAFFEOYL-COA
O-METHYLTRANSFERASE

(Medicago
sativa)
4 / 7 GLU A  85
ILE A 107
HIS A  43
VAL A  38
SAH  A 301 (-4.1A)
None
None
None
1.05A 4a97H-1susA:
0.0
4a97H-1susA:
20.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4A97_I_ZPCI1318_2
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)
1sus CAFFEOYL-COA
O-METHYLTRANSFERASE

(Medicago
sativa)
4 / 6 GLU A  85
ILE A 107
HIS A  43
VAL A  38
SAH  A 301 (-4.1A)
None
None
None
0.98A 4a97I-1susA:
undetectable
4a97I-1susA:
20.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FP9_A_SAMA401_1
(METHYLTRANSFERASE
NSUN4)
1sus CAFFEOYL-COA
O-METHYLTRANSFERASE

(Medicago
sativa)
3 / 3 ASP A 214
ARG A 213
ASP A 167
None
0.78A 4fp9A-1susA:
10.6
4fp9A-1susA:
21.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FP9_C_SAMC401_1
(METHYLTRANSFERASE
NSUN4)
1sus CAFFEOYL-COA
O-METHYLTRANSFERASE

(Medicago
sativa)
3 / 3 ASP A 214
ARG A 213
ASP A 167
None
0.86A 4fp9C-1susA:
10.4
4fp9C-1susA:
21.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FP9_F_SAMF401_1
(METHYLTRANSFERASE
NSUN4)
1sus CAFFEOYL-COA
O-METHYLTRANSFERASE

(Medicago
sativa)
3 / 3 ASP A 214
ARG A 213
ASP A 167
None
0.87A 4fp9F-1susA:
10.4
4fp9F-1susA:
21.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FR0_A_SAMA401_0
(ARSENIC
METHYLTRANSFERASE)
1sus CAFFEOYL-COA
O-METHYLTRANSFERASE

(Medicago
sativa)
5 / 12 GLY A  87
ASP A 165
LEU A  94
ILE A 160
LEU A 108
SAH  A 301 (-3.4A)
SAH  A 301 ( 2.8A)
None
None
None
1.09A 4fr0A-1susA:
12.7
4fr0A-1susA:
21.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4O8F_A_BRLA501_2
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)
1sus CAFFEOYL-COA
O-METHYLTRANSFERASE

(Medicago
sativa)
4 / 5 GLY A  87
LEU A 176
LEU A 108
LEU A  71
SAH  A 301 (-3.4A)
None
None
None
0.88A 4o8fA-1susA:
0.0
4o8fA-1susA:
23.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PCL_A_SAMA301_0
(O-METHYLTRANSFERASE
FAMILY PROTEIN)
1sus CAFFEOYL-COA
O-METHYLTRANSFERASE

(Medicago
sativa)
5 / 12 GLY A  87
ASN A 113
ALA A 140
ALA A 164
TYR A 172
SAH  A 301 (-3.4A)
None
SAH  A 301 (-3.9A)
SAH  A 301 ( 3.7A)
None
0.95A 4pclA-1susA:
26.6
4pclA-1susA:
25.60
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.
4PCL_B_SAMB301_0
(O-METHYLTRANSFERASE
FAMILY PROTEIN)
1sus CAFFEOYL-COA
O-METHYLTRANSFERASE

(Medicago
sativa)
5 / 12 GLU A  85
GLY A  87
ALA A 140
ALA A 164
TYR A 172
SAH  A 301 (-4.1A)
SAH  A 301 (-3.4A)
SAH  A 301 (-3.9A)
SAH  A 301 ( 3.7A)
None
0.54A 4pclB-1susA:
26.8
4pclB-1susA:
25.60
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.
4PCL_B_SAMB301_0
(O-METHYLTRANSFERASE
FAMILY PROTEIN)
1sus CAFFEOYL-COA
O-METHYLTRANSFERASE

(Medicago
sativa)
5 / 12 GLY A  87
ASN A 113
ALA A 140
ALA A 164
TYR A 172
SAH  A 301 (-3.4A)
None
SAH  A 301 (-3.9A)
SAH  A 301 ( 3.7A)
None
0.93A 4pclB-1susA:
26.8
4pclB-1susA:
25.60
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.
4PYL_A_TCWA303_1
(CATECHOL
O-METHYLTRANSFERASE)
1sus CAFFEOYL-COA
O-METHYLTRANSFERASE

(Medicago
sativa)
5 / 10 MET A  61
ASP A 163
LYS A 166
ASP A 189
ASN A 190
SPF  A 401 (-4.1A)
CA  A 305 (-2.5A)
SPF  A 401 (-3.8A)
CA  A 305 (-3.2A)
CA  A 305 (-2.9A)
0.71A 4pylA-1susA:
21.2
4pylA-1susA:
25.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Q1X_A_017A101_1
(ASPARTYL PROTEASE)
1sus CAFFEOYL-COA
O-METHYLTRANSFERASE

(Medicago
sativa)
5 / 11 LEU A  94
GLY A  87
ILE A 240
GLY A 187
ILE A 160
None
SAH  A 301 (-3.4A)
None
None
None
0.93A 4q1xA-1susA:
undetectable
4q1xA-1susA:
17.21
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.
4UCI_A_SAMA2409_0
(RNA-DIRECTED RNA
POLYMERASE L)
1sus CAFFEOYL-COA
O-METHYLTRANSFERASE

(Medicago
sativa)
5 / 12 THR A  63
GLY A  87
GLY A  91
ALA A 140
ALA A 164
SAH  A 301 ( 2.8A)
SAH  A 301 (-3.4A)
None
SAH  A 301 (-3.9A)
SAH  A 301 ( 3.7A)
0.82A 4uciA-1susA:
7.9
4uciA-1susA:
21.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UCI_B_SAMB2409_0
(RNA-DIRECTED RNA
POLYMERASE L)
1sus CAFFEOYL-COA
O-METHYLTRANSFERASE

(Medicago
sativa)
5 / 12 THR A  63
GLY A  87
GLY A  91
ALA A 140
ALA A 164
SAH  A 301 ( 2.8A)
SAH  A 301 (-3.4A)
None
SAH  A 301 (-3.9A)
SAH  A 301 ( 3.7A)
0.82A 4uciB-1susA:
8.0
4uciB-1susA:
21.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UCK_A_SAMA2409_0
(RNA-DIRECTED RNA
POLYMERASE L)
1sus CAFFEOYL-COA
O-METHYLTRANSFERASE

(Medicago
sativa)
5 / 12 THR A  63
GLY A  87
GLY A  91
ALA A 140
ALA A 164
SAH  A 301 ( 2.8A)
SAH  A 301 (-3.4A)
None
SAH  A 301 (-3.9A)
SAH  A 301 ( 3.7A)
0.82A 4uckA-1susA:
8.1
4uckA-1susA:
21.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XUC_A_SAMA303_0
(CATECHOL
O-METHYLTRANSFERASE)
1sus CAFFEOYL-COA
O-METHYLTRANSFERASE

(Medicago
sativa)
5 / 12 GLU A  85
GLY A  87
TYR A  89
TYR A  92
ILE A  86
SAH  A 301 (-4.1A)
SAH  A 301 (-3.4A)
SAH  A 301 (-4.7A)
None
None
1.39A 4xucA-1susA:
20.9
4xucA-1susA:
24.51
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.
4XUC_A_SAMA303_0
(CATECHOL
O-METHYLTRANSFERASE)
1sus CAFFEOYL-COA
O-METHYLTRANSFERASE

(Medicago
sativa)
6 / 12 MET A  61
GLU A  85
GLY A  87
TYR A  89
TYR A  92
ILE A 112
SPF  A 401 (-4.1A)
SAH  A 301 (-4.1A)
SAH  A 301 (-3.4A)
SAH  A 301 (-4.7A)
None
SAH  A 301 (-4.0A)
0.75A 4xucA-1susA:
20.9
4xucA-1susA:
24.51
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.
4XUD_A_SAMA303_0
(CATECHOL
O-METHYLTRANSFERASE)
1sus CAFFEOYL-COA
O-METHYLTRANSFERASE

(Medicago
sativa)
5 / 12 GLU A  85
GLY A  87
TYR A  89
TYR A  92
ILE A  86
SAH  A 301 (-4.1A)
SAH  A 301 (-3.4A)
SAH  A 301 (-4.7A)
None
None
1.38A 4xudA-1susA:
20.8
4xudA-1susA:
24.51
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.
4XUD_A_SAMA303_0
(CATECHOL
O-METHYLTRANSFERASE)
1sus CAFFEOYL-COA
O-METHYLTRANSFERASE

(Medicago
sativa)
6 / 12 MET A  61
GLU A  85
GLY A  87
TYR A  89
TYR A  92
ILE A 112
SPF  A 401 (-4.1A)
SAH  A 301 (-4.1A)
SAH  A 301 (-3.4A)
SAH  A 301 (-4.7A)
None
SAH  A 301 (-4.0A)
0.78A 4xudA-1susA:
20.8
4xudA-1susA:
24.51
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.
4XUE_A_SAMA303_1
(CATECHOL
O-METHYLTRANSFERASE)
1sus CAFFEOYL-COA
O-METHYLTRANSFERASE

(Medicago
sativa)
4 / 5 GLY A  87
TYR A  92
SER A  93
ASP A 163
SAH  A 301 (-3.4A)
None
SAH  A 301 (-2.7A)
CA  A 305 (-2.5A)
0.68A 4xueA-1susA:
20.9
4xueA-1susA:
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.
4XUE_B_SAMB303_0
(CATECHOL
O-METHYLTRANSFERASE)
1sus CAFFEOYL-COA
O-METHYLTRANSFERASE

(Medicago
sativa)
7 / 12 MET A  61
GLY A  87
TYR A  89
TYR A  92
SER A  93
ILE A 112
ASN A 113
SPF  A 401 (-4.1A)
SAH  A 301 (-3.4A)
SAH  A 301 (-4.7A)
None
SAH  A 301 (-2.7A)
SAH  A 301 (-4.0A)
None
0.80A 4xueB-1susA:
20.9
4xueB-1susA:
24.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4YMG_A_SAMA1001_0
(PUTATIVE
SAM-DEPENDENT
O-METHYLTRANFERASE)
1sus CAFFEOYL-COA
O-METHYLTRANSFERASE

(Medicago
sativa)
6 / 12 GLY A  87
TYR A  89
TYR A  92
ALA A 140
ALA A 164
TYR A 172
SAH  A 301 (-3.4A)
SAH  A 301 (-4.7A)
None
SAH  A 301 (-3.9A)
SAH  A 301 ( 3.7A)
None
0.52A 4ymgA-1susA:
26.2
4ymgA-1susA:
31.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4YMG_B_SAMB1001_0
(PUTATIVE
SAM-DEPENDENT
O-METHYLTRANFERASE)
1sus CAFFEOYL-COA
O-METHYLTRANSFERASE

(Medicago
sativa)
8 / 12 GLY A  87
TYR A  89
TYR A  92
SER A  93
ALA A 140
ASP A 163
ALA A 164
TYR A 172
SAH  A 301 (-3.4A)
SAH  A 301 (-4.7A)
None
SAH  A 301 (-2.7A)
SAH  A 301 (-3.9A)
CA  A 305 (-2.5A)
SAH  A 301 ( 3.7A)
None
0.64A 4ymgB-1susA:
24.9
4ymgB-1susA:
31.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5FHQ_A_SAMA301_1
(CATECHOL
O-METHYLTRANSFERASE)
1sus CAFFEOYL-COA
O-METHYLTRANSFERASE

(Medicago
sativa)
5 / 9 MET A  61
GLY A  87
TYR A  89
SER A  93
ASP A 163
SPF  A 401 (-4.1A)
SAH  A 301 (-3.4A)
SAH  A 301 (-4.7A)
SAH  A 301 (-2.7A)
CA  A 305 (-2.5A)
0.54A 5fhqA-1susA:
17.4
5fhqA-1susA:
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.
5FHR_A_SAMA303_0
(CATECHOL
O-METHYLTRANSFERASE)
1sus CAFFEOYL-COA
O-METHYLTRANSFERASE

(Medicago
sativa)
6 / 12 MET A  61
GLU A  85
GLY A  87
TYR A  89
TYR A  92
ASN A 113
SPF  A 401 (-4.1A)
SAH  A 301 (-4.1A)
SAH  A 301 (-3.4A)
SAH  A 301 (-4.7A)
None
None
0.78A 5fhrA-1susA:
18.6
5fhrA-1susA:
25.58
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.
5FHR_B_SAMB303_0
(CATECHOL
O-METHYLTRANSFERASE)
1sus CAFFEOYL-COA
O-METHYLTRANSFERASE

(Medicago
sativa)
6 / 12 MET A  61
GLU A  85
GLY A  87
TYR A  89
TYR A  92
ASN A 113
SPF  A 401 (-4.1A)
SAH  A 301 (-4.1A)
SAH  A 301 (-3.4A)
SAH  A 301 (-4.7A)
None
None
0.76A 5fhrB-1susA:
17.6
5fhrB-1susA:
25.58
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.
5HIE_D_P06D801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)
1sus CAFFEOYL-COA
O-METHYLTRANSFERASE

(Medicago
sativa)
4 / 8 ILE A  86
GLY A  87
PHE A  70
ASP A 189
None
SAH  A 301 (-3.4A)
None
CA  A 305 (-3.2A)
0.93A 5hieD-1susA:
undetectable
5hieD-1susA:
22.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5KVA_A_SAMA301_0
(CAFFEOYL-COA
O-METHYLTRANSFERASE)
1sus CAFFEOYL-COA
O-METHYLTRANSFERASE

(Medicago
sativa)
12 / 12 MET A  61
THR A  62
GLU A  85
GLY A  87
TYR A  89
TYR A  92
ILE A 112
ALA A 140
ASP A 163
ALA A 164
ASP A 165
TYR A 172
SPF  A 401 (-4.1A)
SAH  A 301 (-4.7A)
SAH  A 301 (-4.1A)
SAH  A 301 (-3.4A)
SAH  A 301 (-4.7A)
None
SAH  A 301 (-4.0A)
SAH  A 301 (-3.9A)
CA  A 305 (-2.5A)
SAH  A 301 ( 3.7A)
SAH  A 301 ( 2.8A)
None
0.46A 5kvaA-1susA:
39.3
5kvaA-1susA:
71.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5KVA_A_SAMA301_1
(CAFFEOYL-COA
O-METHYLTRANSFERASE)
1sus CAFFEOYL-COA
O-METHYLTRANSFERASE

(Medicago
sativa)
3 / 3 THR A  63
SER A  93
ASP A 111
SAH  A 301 ( 2.8A)
SAH  A 301 (-2.7A)
SAH  A 301 (-2.8A)
0.53A 5kvaA-1susA:
39.3
5kvaA-1susA:
71.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5KVA_B_SAMB301_0
(CAFFEOYL-COA
O-METHYLTRANSFERASE)
1sus CAFFEOYL-COA
O-METHYLTRANSFERASE

(Medicago
sativa)
12 / 12 MET A  61
THR A  62
GLU A  85
GLY A  87
TYR A  89
TYR A  92
ILE A 112
ALA A 140
ASP A 163
ALA A 164
ASP A 165
TYR A 172
SPF  A 401 (-4.1A)
SAH  A 301 (-4.7A)
SAH  A 301 (-4.1A)
SAH  A 301 (-3.4A)
SAH  A 301 (-4.7A)
None
SAH  A 301 (-4.0A)
SAH  A 301 (-3.9A)
CA  A 305 (-2.5A)
SAH  A 301 ( 3.7A)
SAH  A 301 ( 2.8A)
None
0.49A 5kvaB-1susA:
38.9
5kvaB-1susA:
71.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5KVA_B_SAMB301_1
(CAFFEOYL-COA
O-METHYLTRANSFERASE)
1sus CAFFEOYL-COA
O-METHYLTRANSFERASE

(Medicago
sativa)
3 / 3 THR A  63
SER A  93
ASP A 111
SAH  A 301 ( 2.8A)
SAH  A 301 (-2.7A)
SAH  A 301 (-2.8A)
0.55A 5kvaB-1susA:
38.9
5kvaB-1susA:
71.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5LOG_A_LDPA1004_1
(PUTATIVE
O-METHYLTRANSFERASE)
1sus CAFFEOYL-COA
O-METHYLTRANSFERASE

(Medicago
sativa)
6 / 6 MET A  61
ASP A 163
LYS A 166
ASP A 189
ASN A 190
TRP A 193
SPF  A 401 (-4.1A)
CA  A 305 (-2.5A)
SPF  A 401 (-3.8A)
CA  A 305 (-3.2A)
CA  A 305 (-2.9A)
None
0.60A 5logA-1susA:
30.7
5logA-1susA:
36.90
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.
5LSA_A_SAMA303_0
(CATECHOL
O-METHYLTRANSFERASE)
1sus CAFFEOYL-COA
O-METHYLTRANSFERASE

(Medicago
sativa)
5 / 12 MET A  61
GLU A  85
GLY A  87
TYR A  89
ILE A 112
SPF  A 401 (-4.1A)
SAH  A 301 (-4.1A)
SAH  A 301 (-3.4A)
SAH  A 301 (-4.7A)
SAH  A 301 (-4.0A)
0.75A 5lsaA-1susA:
20.9
5lsaA-1susA:
26.38
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.
5N5D_A_SAMA306_0
(METHYLTRANSFERASE)
1sus CAFFEOYL-COA
O-METHYLTRANSFERASE

(Medicago
sativa)
7 / 12 GLU A  85
GLY A  87
TYR A  92
ALA A 140
PHE A 161
ALA A 164
TYR A 172
SAH  A 301 (-4.1A)
SAH  A 301 (-3.4A)
None
SAH  A 301 (-3.9A)
None
SAH  A 301 ( 3.7A)
None
0.46A 5n5dA-1susA:
25.5
5n5dA-1susA:
26.00
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.
5N5D_B_SAMB303_0
(METHYLTRANSFERASE)
1sus CAFFEOYL-COA
O-METHYLTRANSFERASE

(Medicago
sativa)
6 / 12 GLU A  85
TYR A  92
ALA A 140
PHE A 161
ALA A 164
TYR A 172
SAH  A 301 (-4.1A)
None
SAH  A 301 (-3.9A)
None
SAH  A 301 ( 3.7A)
None
0.48A 5n5dB-1susA:
25.9
5n5dB-1susA:
26.00
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.
5TUD_D_ERMD1201_2
(5-HYDROXYTRYPTAMINE
RECEPTOR 2B,SOLUBLE
CYTOCHROME B562
CHIMERA)
1sus CAFFEOYL-COA
O-METHYLTRANSFERASE

(Medicago
sativa)
4 / 6 LEU A  49
LEU A  95
LEU A  75
GLU A  67
None
0.87A 5tudD-1susA:
undetectable
5tudD-1susA:
19.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X7F_A_SAMA301_0
(PUTATIVE
O-METHYLTRANSFERASE
RV1220C)
1sus CAFFEOYL-COA
O-METHYLTRANSFERASE

(Medicago
sativa)
5 / 12 GLY A  87
ILE A 112
ALA A 140
ALA A 164
TYR A 172
SAH  A 301 (-3.4A)
SAH  A 301 (-4.0A)
SAH  A 301 (-3.9A)
SAH  A 301 ( 3.7A)
None
0.50A 5x7fA-1susA:
24.9
5x7fA-1susA:
25.88
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.
5ZW4_A_SAMA302_0
(PUTATIVE
O-METHYLTRANSFERASE
YRRM)
1sus CAFFEOYL-COA
O-METHYLTRANSFERASE

(Medicago
sativa)
6 / 12 GLU A  85
GLY A  87
TYR A  92
ASN A 113
ALA A 140
ALA A 164
SAH  A 301 (-4.1A)
SAH  A 301 (-3.4A)
None
None
SAH  A 301 (-3.9A)
SAH  A 301 ( 3.7A)
0.59A 5zw4A-1susA:
26.0
5zw4A-1susA:
26.91
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.
6AG0_C_ACRC608_1
(ALPHA-AMYLASE)
1sus CAFFEOYL-COA
O-METHYLTRANSFERASE

(Medicago
sativa)
3 / 3 TYR A  92
ALA A  98
LEU A  99
None
0.62A 6ag0C-1susA:
undetectable
6ag0C-1susA:
15.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EXI_A_ADNA502_1
(ADENOSYLHOMOCYSTEINA
SE)
1sus CAFFEOYL-COA
O-METHYLTRANSFERASE

(Medicago
sativa)
3 / 3 LEU A  94
ASN A  82
LEU A  75
None
0.59A 6exiA-1susA:
3.1
6exiA-1susA:
17.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6GNG_B_QPSB601_3
(-)
1sus CAFFEOYL-COA
O-METHYLTRANSFERASE

(Medicago
sativa)
3 / 3 ASP A  27
ASP A 238
ASN A 220
None
SPF  A 401 ( 4.1A)
None
0.53A 6gngB-1susA:
2.4
6gngB-1susA:
17.19