SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '5kva'

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.
1CEA_A_ACAA90_1
(PLASMINOGEN)		 5kva CAFFEOYL-COA
O-METHYLTRANSFERASE
(Sorghum
bicolor) 		4 / 8 ASP A 252
TRP A 207
TYR A 222
ARG A 220
 None
 0.91A 1ceaA-5kvaA:
undetectable
1ceaB-5kvaA:
undetectable		 1ceaA-5kvaA:
15.11
1ceaB-5kvaA:
15.11
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.
1CEB_A_AMHA90_1
(PLASMINOGEN)		 5kva CAFFEOYL-COA
O-METHYLTRANSFERASE
(Sorghum
bicolor) 		4 / 7 ASP A 252
TRP A 207
TYR A 222
ARG A 220
 None
 0.92A 1cebA-5kvaA:
undetectable		 1cebA-5kvaA:
15.11
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.
1CEB_B_AMHB90_1
(PLASMINOGEN)		 5kva CAFFEOYL-COA
O-METHYLTRANSFERASE
(Sorghum
bicolor) 		4 / 7 ASP A 252
TRP A 207
TYR A 222
ARG A 220
 None
 0.97A 1cebB-5kvaA:
undetectable		 1cebB-5kvaA:
15.11
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.
1VID_A_SAMA301_0
(CATECHOL
O-METHYLTRANSFERASE)		 5kva CAFFEOYL-COA
O-METHYLTRANSFERASE
(Sorghum
bicolor) 		5 / 12 GLU A  99
GLY A 101
TYR A 103
TYR A 106
ASN A 127
 SAM  A 301 ( 4.0A)
SAM  A 301 (-3.4A)
SAM  A 301 (-4.8A)
None
None
 0.60A 1vidA-5kvaA:
21.3		 1vidA-5kvaA:
24.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1VID_A_SAMA301_0
(CATECHOL
O-METHYLTRANSFERASE)		 5kva CAFFEOYL-COA
O-METHYLTRANSFERASE
(Sorghum
bicolor) 		5 / 12 MET A  75
GLU A  99
GLY A 101
TYR A 103
ASN A 127
 SAM  A 301 (-3.8A)
SAM  A 301 ( 4.0A)
SAM  A 301 (-3.4A)
SAM  A 301 (-4.8A)
None
 0.58A 1vidA-5kvaA:
21.3		 1vidA-5kvaA:
24.49
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)		 5kva CAFFEOYL-COA
O-METHYLTRANSFERASE
(Sorghum
bicolor) 		7 / 12 GLY A 101
TYR A 106
SER A 107
ALA A 154
ALA A 178
ASP A 179
TYR A 186
 SAM  A 301 (-3.4A)
None
SAM  A 301 (-2.8A)
SAM  A 301 (-3.7A)
SAM  A 301 (-3.7A)
SAM  A 301 (-3.1A)
None
 0.68A 2avdA-5kvaA:
30.6		 2avdA-5kvaA:
33.33
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)		 5kva CAFFEOYL-COA
O-METHYLTRANSFERASE
(Sorghum
bicolor) 		6 / 12 GLY A 101
TYR A 106
ALA A 154
ASP A 177
ALA A 178
TYR A 186
 SAM  A 301 (-3.4A)
None
SAM  A 301 (-3.7A)
CA  A 302 ( 2.2A)
SAM  A 301 (-3.7A)
None
 0.71A 2avdB-5kvaA:
30.8		 2avdB-5kvaA:
33.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2BR4_A_SAMA301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)		 5kva CAFFEOYL-COA
O-METHYLTRANSFERASE
(Sorghum
bicolor) 		5 / 12 GLY A 101
TYR A 103
SER A 107
ASP A 177
ALA A 178
 SAM  A 301 (-3.4A)
SAM  A 301 (-4.8A)
SAM  A 301 (-2.8A)
CA  A 302 ( 2.2A)
SAM  A 301 (-3.7A)
 0.73A 2br4A-5kvaA:
13.4		 2br4A-5kvaA:
23.61
Potential target for repurposing, i.e. matched protein structure has less than 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)		 5kva CAFFEOYL-COA
O-METHYLTRANSFERASE
(Sorghum
bicolor) 		6 / 12 GLU A  99
GLY A 101
TYR A 103
SER A 107
ASP A 125
ALA A 178
 SAM  A 301 ( 4.0A)
SAM  A 301 (-3.4A)
SAM  A 301 (-4.8A)
SAM  A 301 (-2.8A)
SAM  A 301 (-2.8A)
SAM  A 301 (-3.7A)
 1.07A 2br4D-5kvaA:
13.1		 2br4D-5kvaA:
23.61
Potential target for repurposing, i.e. matched protein structure has less than 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)		 5kva CAFFEOYL-COA
O-METHYLTRANSFERASE
(Sorghum
bicolor) 		5 / 12 GLY A 101
TYR A 103
SER A 107
ASP A 177
ALA A 178
 SAM  A 301 (-3.4A)
SAM  A 301 (-4.8A)
SAM  A 301 (-2.8A)
CA  A 302 ( 2.2A)
SAM  A 301 (-3.7A)
 0.71A 2br4F-5kvaA:
13.1		 2br4F-5kvaA:
23.61
Potential target for repurposing, i.e. matched protein structure has less than 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)		 5kva CAFFEOYL-COA
O-METHYLTRANSFERASE
(Sorghum
bicolor) 		5 / 12 GLU A  99
GLY A 101
TYR A 103
TYR A 106
ASN A 127
 SAM  A 301 ( 4.0A)
SAM  A 301 (-3.4A)
SAM  A 301 (-4.8A)
None
None
 0.55A 2cl5B-5kvaA:
21.9		 2cl5B-5kvaA:
24.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2CL5_B_SAMB1217_0
(CATECHOL
O-METHYLTRANSFERASE)		 5kva CAFFEOYL-COA
O-METHYLTRANSFERASE
(Sorghum
bicolor) 		5 / 12 MET A  75
GLU A  99
GLY A 101
TYR A 103
ASN A 127
 SAM  A 301 (-3.8A)
SAM  A 301 ( 4.0A)
SAM  A 301 (-3.4A)
SAM  A 301 (-4.8A)
None
 0.53A 2cl5B-5kvaA:
21.9		 2cl5B-5kvaA:
24.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2IGT_A_SAMA1001_1
(SAM DEPENDENT
METHYLTRANSFERASE)		 5kva CAFFEOYL-COA
O-METHYLTRANSFERASE
(Sorghum
bicolor) 		3 / 3 ASP A  49
ASP A  80
ASP A  42
 None
 0.60A 2igtA-5kvaA:
14.3		 2igtA-5kvaA:
23.67
Potential target for repurposing, i.e. matched protein structure has less than 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)		 5kva CAFFEOYL-COA
O-METHYLTRANSFERASE
(Sorghum
bicolor) 		4 / 8 MET A 124
TYR A 186
GLY A 101
ILE A 100
 None
None
SAM  A 301 (-3.4A)
None
 0.73A 2zm9A-5kvaA:
undetectable		 2zm9A-5kvaA:
19.39
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.
2ZVJ_A_SAMA301_0
(CATECHOL
O-METHYLTRANSFERASE)		 5kva CAFFEOYL-COA
O-METHYLTRANSFERASE
(Sorghum
bicolor) 		5 / 12 GLU A  99
GLY A 101
TYR A 103
TYR A 106
ASN A 127
 SAM  A 301 ( 4.0A)
SAM  A 301 (-3.4A)
SAM  A 301 (-4.8A)
None
None
 0.57A 2zvjA-5kvaA:
21.8		 2zvjA-5kvaA:
24.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZVJ_A_SAMA301_0
(CATECHOL
O-METHYLTRANSFERASE)		 5kva CAFFEOYL-COA
O-METHYLTRANSFERASE
(Sorghum
bicolor) 		5 / 12 MET A  75
GLU A  99
GLY A 101
TYR A 103
ASN A 127
 SAM  A 301 (-3.8A)
SAM  A 301 ( 4.0A)
SAM  A 301 (-3.4A)
SAM  A 301 (-4.8A)
None
 0.60A 2zvjA-5kvaA:
21.8		 2zvjA-5kvaA:
24.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3A7E_A_SAMA216_1
(CATECHOL
O-METHYLTRANSFERASE)		 5kva CAFFEOYL-COA
O-METHYLTRANSFERASE
(Sorghum
bicolor) 		4 / 6 GLY A 101
SER A 107
ILE A 126
ASP A 177
 SAM  A 301 (-3.4A)
SAM  A 301 (-2.8A)
SAM  A 301 (-4.2A)
CA  A 302 ( 2.2A)
 0.42A 3a7eA-5kvaA:
21.6		 3a7eA-5kvaA:
22.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BWM_A_SAMA301_0
(CATECHOL
O-METHYLTRANSFERASE)		 5kva CAFFEOYL-COA
O-METHYLTRANSFERASE
(Sorghum
bicolor) 		5 / 12 GLY A 101
TYR A 103
TYR A 106
ILE A 126
ASN A 127
 SAM  A 301 (-3.4A)
SAM  A 301 (-4.8A)
None
SAM  A 301 (-4.2A)
None
 0.64A 3bwmA-5kvaA:
21.3		 3bwmA-5kvaA:
23.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BWM_A_SAMA301_0
(CATECHOL
O-METHYLTRANSFERASE)		 5kva CAFFEOYL-COA
O-METHYLTRANSFERASE
(Sorghum
bicolor) 		5 / 12 MET A  75
GLY A 101
TYR A 103
ILE A 126
ASN A 127
 SAM  A 301 (-3.8A)
SAM  A 301 (-3.4A)
SAM  A 301 (-4.8A)
SAM  A 301 (-4.2A)
None
 0.76A 3bwmA-5kvaA:
21.3		 3bwmA-5kvaA:
23.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BWY_A_SAMA301_0
(COMT PROTEIN)		 5kva CAFFEOYL-COA
O-METHYLTRANSFERASE
(Sorghum
bicolor) 		5 / 12 GLU A  99
GLY A 101
TYR A 103
TYR A 106
ILE A 126
 SAM  A 301 ( 4.0A)
SAM  A 301 (-3.4A)
SAM  A 301 (-4.8A)
None
SAM  A 301 (-4.2A)
 0.56A 3bwyA-5kvaA:
21.2		 3bwyA-5kvaA:
23.59
Potential target for repurposing, i.e. matched protein structure has less than 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)		 5kva CAFFEOYL-COA
O-METHYLTRANSFERASE
(Sorghum
bicolor) 		5 / 12 MET A  75
GLU A  99
GLY A 101
TYR A 103
ILE A 126
 SAM  A 301 (-3.8A)
SAM  A 301 ( 4.0A)
SAM  A 301 (-3.4A)
SAM  A 301 (-4.8A)
SAM  A 301 (-4.2A)
 0.71A 3bwyA-5kvaA:
21.2		 3bwyA-5kvaA:
23.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LD6_A_KKKA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 5kva CAFFEOYL-COA
O-METHYLTRANSFERASE
(Sorghum
bicolor) 		5 / 12 PHE A 173
GLY A  82
ALA A 110
ILE A 121
MET A 124
 None
 1.34A 3ld6A-5kvaA:
undetectable		 3ld6A-5kvaA:
20.39
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.
3S68_A_SAMA228_0
(CATECHOL
O-METHYLTRANSFERASE)		 5kva CAFFEOYL-COA
O-METHYLTRANSFERASE
(Sorghum
bicolor) 		6 / 10 MET A  75
GLU A  99
GLY A 101
TYR A 103
SER A 107
ASP A 177
 SAM  A 301 (-3.8A)
SAM  A 301 ( 4.0A)
SAM  A 301 (-3.4A)
SAM  A 301 (-4.8A)
SAM  A 301 (-2.8A)
CA  A 302 ( 2.2A)
 0.44A 3s68A-5kvaA:
20.9		 3s68A-5kvaA:
24.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4A6D_A_SAMA1350_0
(HYDROXYINDOLE
O-METHYLTRANSFERASE)		 5kva CAFFEOYL-COA
O-METHYLTRANSFERASE
(Sorghum
bicolor) 		5 / 12 PHE A 149
GLY A 105
GLY A 134
ILE A 147
ASP A 125
 None
SAM  A 301 ( 4.8A)
None
None
SAM  A 301 (-2.8A)
 1.07A 4a6dA-5kvaA:
11.2		 4a6dA-5kvaA:
22.19
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.
4A6E_A_SAMA1349_0
(HYDROXYINDOLE
O-METHYLTRANSFERASE)		 5kva CAFFEOYL-COA
O-METHYLTRANSFERASE
(Sorghum
bicolor) 		5 / 12 PHE A 149
GLY A 105
GLY A 134
ILE A 147
ASP A 125
 None
SAM  A 301 ( 4.8A)
None
None
SAM  A 301 (-2.8A)
 1.00A 4a6eA-5kvaA:
11.3		 4a6eA-5kvaA:
22.19
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.
4N09_B_ADNB401_1
(ADENOSINE KINASE)		 5kva CAFFEOYL-COA
O-METHYLTRANSFERASE
(Sorghum
bicolor) 		5 / 12 LEU A 115
GLY A 197
GLY A 198
ALA A  94
PHE A 173
 None
 1.02A 4n09B-5kvaA:
4.7		 4n09B-5kvaA:
20.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4N09_D_ADND401_1
(ADENOSINE KINASE)		 5kva CAFFEOYL-COA
O-METHYLTRANSFERASE
(Sorghum
bicolor) 		5 / 12 LEU A 115
GLY A 197
GLY A 198
ALA A  94
PHE A 173
 None
 1.00A 4n09D-5kvaA:
4.7		 4n09D-5kvaA:
20.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PCL_A_SAMA301_0
(O-METHYLTRANSFERASE
FAMILY PROTEIN)		 5kva CAFFEOYL-COA
O-METHYLTRANSFERASE
(Sorghum
bicolor) 		5 / 12 GLY A 101
ASN A 127
ALA A 154
ALA A 178
TYR A 186
 SAM  A 301 (-3.4A)
None
SAM  A 301 (-3.7A)
SAM  A 301 (-3.7A)
None
 0.95A 4pclA-5kvaA:
27.3		 4pclA-5kvaA:
27.82
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.
4PCL_B_SAMB301_0
(O-METHYLTRANSFERASE
FAMILY PROTEIN)		 5kva CAFFEOYL-COA
O-METHYLTRANSFERASE
(Sorghum
bicolor) 		5 / 12 GLU A  99
GLY A 101
ALA A 154
ALA A 178
TYR A 186
 SAM  A 301 ( 4.0A)
SAM  A 301 (-3.4A)
SAM  A 301 (-3.7A)
SAM  A 301 (-3.7A)
None
 0.45A 4pclB-5kvaA:
27.5		 4pclB-5kvaA:
27.82
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.
4PCL_B_SAMB301_0
(O-METHYLTRANSFERASE
FAMILY PROTEIN)		 5kva CAFFEOYL-COA
O-METHYLTRANSFERASE
(Sorghum
bicolor) 		5 / 12 GLY A 101
ASN A 127
ALA A 154
ALA A 178
TYR A 186
 SAM  A 301 (-3.4A)
None
SAM  A 301 (-3.7A)
SAM  A 301 (-3.7A)
None
 0.93A 4pclB-5kvaA:
27.5		 4pclB-5kvaA:
27.82
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.
4UCI_A_SAMA2409_0
(RNA-DIRECTED RNA
POLYMERASE L)		 5kva CAFFEOYL-COA
O-METHYLTRANSFERASE
(Sorghum
bicolor) 		5 / 12 THR A  77
GLY A 101
GLY A 105
ALA A 154
ALA A 178
 SAM  A 301 (-3.5A)
SAM  A 301 (-3.4A)
SAM  A 301 ( 4.8A)
SAM  A 301 (-3.7A)
SAM  A 301 (-3.7A)
 0.91A 4uciA-5kvaA:
8.3		 4uciA-5kvaA:
22.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UCI_B_SAMB2409_0
(RNA-DIRECTED RNA
POLYMERASE L)		 5kva CAFFEOYL-COA
O-METHYLTRANSFERASE
(Sorghum
bicolor) 		5 / 12 THR A  77
GLY A 101
GLY A 105
ALA A 154
ALA A 178
 SAM  A 301 (-3.5A)
SAM  A 301 (-3.4A)
SAM  A 301 ( 4.8A)
SAM  A 301 (-3.7A)
SAM  A 301 (-3.7A)
 0.91A 4uciB-5kvaA:
8.3		 4uciB-5kvaA:
22.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UCK_A_SAMA2409_0
(RNA-DIRECTED RNA
POLYMERASE L)		 5kva CAFFEOYL-COA
O-METHYLTRANSFERASE
(Sorghum
bicolor) 		5 / 12 THR A  77
GLY A 101
GLY A 105
ALA A 154
ALA A 178
 SAM  A 301 (-3.5A)
SAM  A 301 (-3.4A)
SAM  A 301 ( 4.8A)
SAM  A 301 (-3.7A)
SAM  A 301 (-3.7A)
 0.90A 4uckA-5kvaA:
8.3		 4uckA-5kvaA:
22.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XUC_A_SAMA303_0
(CATECHOL
O-METHYLTRANSFERASE)		 5kva CAFFEOYL-COA
O-METHYLTRANSFERASE
(Sorghum
bicolor) 		5 / 12 GLU A  99
GLY A 101
TYR A 103
TYR A 106
ILE A 100
 SAM  A 301 ( 4.0A)
SAM  A 301 (-3.4A)
SAM  A 301 (-4.8A)
None
None
 1.37A 4xucA-5kvaA:
21.1		 4xucA-5kvaA:
23.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XUC_A_SAMA303_0
(CATECHOL
O-METHYLTRANSFERASE)		 5kva CAFFEOYL-COA
O-METHYLTRANSFERASE
(Sorghum
bicolor) 		5 / 12 GLU A  99
GLY A 101
TYR A 103
TYR A 106
ILE A 126
 SAM  A 301 ( 4.0A)
SAM  A 301 (-3.4A)
SAM  A 301 (-4.8A)
None
SAM  A 301 (-4.2A)
 0.53A 4xucA-5kvaA:
21.1		 4xucA-5kvaA:
23.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XUC_A_SAMA303_0
(CATECHOL
O-METHYLTRANSFERASE)		 5kva CAFFEOYL-COA
O-METHYLTRANSFERASE
(Sorghum
bicolor) 		5 / 12 MET A  75
GLU A  99
GLY A 101
TYR A 103
ILE A 126
 SAM  A 301 (-3.8A)
SAM  A 301 ( 4.0A)
SAM  A 301 (-3.4A)
SAM  A 301 (-4.8A)
SAM  A 301 (-4.2A)
 0.64A 4xucA-5kvaA:
21.1		 4xucA-5kvaA:
23.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XUD_A_SAMA303_0
(CATECHOL
O-METHYLTRANSFERASE)		 5kva CAFFEOYL-COA
O-METHYLTRANSFERASE
(Sorghum
bicolor) 		5 / 12 GLU A  99
GLY A 101
TYR A 103
TYR A 106
ILE A 100
 SAM  A 301 ( 4.0A)
SAM  A 301 (-3.4A)
SAM  A 301 (-4.8A)
None
None
 1.36A 4xudA-5kvaA:
20.9		 4xudA-5kvaA:
23.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XUD_A_SAMA303_0
(CATECHOL
O-METHYLTRANSFERASE)		 5kva CAFFEOYL-COA
O-METHYLTRANSFERASE
(Sorghum
bicolor) 		5 / 12 GLU A  99
GLY A 101
TYR A 103
TYR A 106
ILE A 126
 SAM  A 301 ( 4.0A)
SAM  A 301 (-3.4A)
SAM  A 301 (-4.8A)
None
SAM  A 301 (-4.2A)
 0.52A 4xudA-5kvaA:
20.9		 4xudA-5kvaA:
23.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XUD_A_SAMA303_0
(CATECHOL
O-METHYLTRANSFERASE)		 5kva CAFFEOYL-COA
O-METHYLTRANSFERASE
(Sorghum
bicolor) 		5 / 12 MET A  75
GLU A  99
GLY A 101
TYR A 103
ILE A 126
 SAM  A 301 (-3.8A)
SAM  A 301 ( 4.0A)
SAM  A 301 (-3.4A)
SAM  A 301 (-4.8A)
SAM  A 301 (-4.2A)
 0.73A 4xudA-5kvaA:
20.9		 4xudA-5kvaA:
23.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XUE_B_SAMB303_0
(CATECHOL
O-METHYLTRANSFERASE)		 5kva CAFFEOYL-COA
O-METHYLTRANSFERASE
(Sorghum
bicolor) 		6 / 12 GLY A 101
TYR A 103
TYR A 106
SER A 107
ILE A 126
ASN A 127
 SAM  A 301 (-3.4A)
SAM  A 301 (-4.8A)
None
SAM  A 301 (-2.8A)
SAM  A 301 (-4.2A)
None
 0.65A 4xueB-5kvaA:
21.0		 4xueB-5kvaA:
23.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XUE_B_SAMB303_0
(CATECHOL
O-METHYLTRANSFERASE)		 5kva CAFFEOYL-COA
O-METHYLTRANSFERASE
(Sorghum
bicolor) 		6 / 12 MET A  75
GLY A 101
TYR A 103
SER A 107
ILE A 126
ASN A 127
 SAM  A 301 (-3.8A)
SAM  A 301 (-3.4A)
SAM  A 301 (-4.8A)
SAM  A 301 (-2.8A)
SAM  A 301 (-4.2A)
None
 0.71A 4xueB-5kvaA:
21.0		 4xueB-5kvaA:
23.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YMG_A_SAMA1001_0
(PUTATIVE
SAM-DEPENDENT
O-METHYLTRANFERASE)		 5kva CAFFEOYL-COA
O-METHYLTRANSFERASE
(Sorghum
bicolor) 		6 / 12 GLY A 101
TYR A 103
TYR A 106
ALA A 154
ALA A 178
TYR A 186
 SAM  A 301 (-3.4A)
SAM  A 301 (-4.8A)
None
SAM  A 301 (-3.7A)
SAM  A 301 (-3.7A)
None
 0.71A 4ymgA-5kvaA:
26.7		 4ymgA-5kvaA:
29.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YMG_B_SAMB1001_0
(PUTATIVE
SAM-DEPENDENT
O-METHYLTRANFERASE)		 5kva CAFFEOYL-COA
O-METHYLTRANSFERASE
(Sorghum
bicolor) 		8 / 12 GLY A 101
TYR A 103
TYR A 106
SER A 107
ALA A 154
ASP A 177
ALA A 178
TYR A 186
 SAM  A 301 (-3.4A)
SAM  A 301 (-4.8A)
None
SAM  A 301 (-2.8A)
SAM  A 301 (-3.7A)
CA  A 302 ( 2.2A)
SAM  A 301 (-3.7A)
None
 0.71A 4ymgB-5kvaA:
25.3		 4ymgB-5kvaA:
29.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5FHQ_A_SAMA301_1
(CATECHOL
O-METHYLTRANSFERASE)		 5kva CAFFEOYL-COA
O-METHYLTRANSFERASE
(Sorghum
bicolor) 		5 / 9 MET A  75
GLY A 101
TYR A 103
SER A 107
ASP A 177
 SAM  A 301 (-3.8A)
SAM  A 301 (-3.4A)
SAM  A 301 (-4.8A)
SAM  A 301 (-2.8A)
CA  A 302 ( 2.2A)
 0.45A 5fhqA-5kvaA:
17.5		 5fhqA-5kvaA:
26.02
Potential target for repurposing, i.e. matched protein structure has less than 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)		 5kva CAFFEOYL-COA
O-METHYLTRANSFERASE
(Sorghum
bicolor) 		5 / 12 GLU A  99
GLY A 101
TYR A 103
TYR A 106
ASN A 127
 SAM  A 301 ( 4.0A)
SAM  A 301 (-3.4A)
SAM  A 301 (-4.8A)
None
None
 0.56A 5fhrA-5kvaA:
18.8		 5fhrA-5kvaA:
26.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5FHR_A_SAMA303_0
(CATECHOL
O-METHYLTRANSFERASE)		 5kva CAFFEOYL-COA
O-METHYLTRANSFERASE
(Sorghum
bicolor) 		5 / 12 MET A  75
GLU A  99
GLY A 101
TYR A 103
ASN A 127
 SAM  A 301 (-3.8A)
SAM  A 301 ( 4.0A)
SAM  A 301 (-3.4A)
SAM  A 301 (-4.8A)
None
 0.45A 5fhrA-5kvaA:
18.8		 5fhrA-5kvaA:
26.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5FHR_B_SAMB303_0
(CATECHOL
O-METHYLTRANSFERASE)		 5kva CAFFEOYL-COA
O-METHYLTRANSFERASE
(Sorghum
bicolor) 		5 / 12 GLU A  99
GLY A 101
TYR A 103
TYR A 106
ASN A 127
 SAM  A 301 ( 4.0A)
SAM  A 301 (-3.4A)
SAM  A 301 (-4.8A)
None
None
 0.52A 5fhrB-5kvaA:
17.7		 5fhrB-5kvaA:
26.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5FHR_B_SAMB303_0
(CATECHOL
O-METHYLTRANSFERASE)		 5kva CAFFEOYL-COA
O-METHYLTRANSFERASE
(Sorghum
bicolor) 		5 / 12 MET A  75
GLU A  99
GLY A 101
TYR A 103
ASN A 127
 SAM  A 301 (-3.8A)
SAM  A 301 ( 4.0A)
SAM  A 301 (-3.4A)
SAM  A 301 (-4.8A)
None
 0.51A 5fhrB-5kvaA:
17.7		 5fhrB-5kvaA:
26.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JO9_A_SORA302_0
(RIBITOL
2-DEHYDROGENASE)		 5kva CAFFEOYL-COA
O-METHYLTRANSFERASE
(Sorghum
bicolor) 		5 / 12 LEU A 256
GLY A 201
VAL A 176
PHE A 173
LEU A  88
 None
 1.41A 5jo9A-5kvaA:
8.2		 5jo9A-5kvaA:
24.57
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)		 5kva CAFFEOYL-COA
O-METHYLTRANSFERASE
(Sorghum
bicolor) 		12 / 12 MET A  75
THR A  76
GLU A  99
GLY A 101
TYR A 103
TYR A 106
ILE A 126
ALA A 154
ASP A 177
ALA A 178
ASP A 179
TYR A 186
 SAM  A 301 (-3.8A)
SAM  A 301 (-4.7A)
SAM  A 301 ( 4.0A)
SAM  A 301 (-3.4A)
SAM  A 301 (-4.8A)
None
SAM  A 301 (-4.2A)
SAM  A 301 (-3.7A)
CA  A 302 ( 2.2A)
SAM  A 301 (-3.7A)
SAM  A 301 (-3.1A)
None
 0.00A 5kvaA-5kvaA:
43.6		 5kvaA-5kvaA:
100.00
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)		 5kva CAFFEOYL-COA
O-METHYLTRANSFERASE
(Sorghum
bicolor) 		6 / 12 THR A 104
GLU A  99
GLY A 101
ALA A 178
ASP A 179
TYR A 186
 None
SAM  A 301 ( 4.0A)
SAM  A 301 (-3.4A)
SAM  A 301 (-3.7A)
SAM  A 301 (-3.1A)
None
 1.40A 5kvaA-5kvaA:
43.6		 5kvaA-5kvaA:
100.00
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)		 5kva CAFFEOYL-COA
O-METHYLTRANSFERASE
(Sorghum
bicolor) 		12 / 12 MET A  75
THR A  76
GLU A  99
GLY A 101
TYR A 103
TYR A 106
ILE A 126
ALA A 154
ASP A 177
ALA A 178
ASP A 179
TYR A 186
 SAM  A 301 (-3.8A)
SAM  A 301 (-4.7A)
SAM  A 301 ( 4.0A)
SAM  A 301 (-3.4A)
SAM  A 301 (-4.8A)
None
SAM  A 301 (-4.2A)
SAM  A 301 (-3.7A)
CA  A 302 ( 2.2A)
SAM  A 301 (-3.7A)
SAM  A 301 (-3.1A)
None
 0.11A 5kvaB-5kvaA:
42.0		 5kvaB-5kvaA:
100.00
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)		 5kva CAFFEOYL-COA
O-METHYLTRANSFERASE
(Sorghum
bicolor) 		6 / 12 THR A 104
GLU A  99
GLY A 101
ALA A 178
ASP A 179
TYR A 186
 None
SAM  A 301 ( 4.0A)
SAM  A 301 (-3.4A)
SAM  A 301 (-3.7A)
SAM  A 301 (-3.1A)
None
 1.38A 5kvaB-5kvaA:
42.0		 5kvaB-5kvaA:
100.00
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)		 5kva CAFFEOYL-COA
O-METHYLTRANSFERASE
(Sorghum
bicolor) 		3 / 3 THR A  77
SER A 107
ASP A 125
 SAM  A 301 (-3.5A)
SAM  A 301 (-2.8A)
SAM  A 301 (-2.8A)
 0.05A 5kvaB-5kvaA:
39.8		 5kvaB-5kvaA:
100.00
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)		 5kva CAFFEOYL-COA
O-METHYLTRANSFERASE
(Sorghum
bicolor) 		6 / 6 MET A  75
ASP A 177
LYS A 180
ASP A 203
ASN A 204
TRP A 207
 SAM  A 301 (-3.8A)
CA  A 302 ( 2.2A)
None
CA  A 302 (-3.3A)
CA  A 302 (-2.9A)
None
 0.66A 5logA-5kvaA:
31.5		 5logA-5kvaA:
36.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5LSA_A_SAMA303_0
(CATECHOL
O-METHYLTRANSFERASE)		 5kva CAFFEOYL-COA
O-METHYLTRANSFERASE
(Sorghum
bicolor) 		5 / 12 MET A  75
GLU A  99
GLY A 101
TYR A 103
ILE A 126
 SAM  A 301 (-3.8A)
SAM  A 301 ( 4.0A)
SAM  A 301 (-3.4A)
SAM  A 301 (-4.8A)
SAM  A 301 (-4.2A)
 0.70A 5lsaA-5kvaA:
21.2		 5lsaA-5kvaA:
23.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5N5D_A_SAMA306_0
(METHYLTRANSFERASE)		 5kva CAFFEOYL-COA
O-METHYLTRANSFERASE
(Sorghum
bicolor) 		7 / 12 GLU A  99
GLY A 101
TYR A 106
ALA A 154
PHE A 175
ALA A 178
TYR A 186
 SAM  A 301 ( 4.0A)
SAM  A 301 (-3.4A)
None
SAM  A 301 (-3.7A)
None
SAM  A 301 (-3.7A)
None
 0.50A 5n5dA-5kvaA:
26.4		 5n5dA-5kvaA:
27.82
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.
5N5D_B_SAMB303_0
(METHYLTRANSFERASE)		 5kva CAFFEOYL-COA
O-METHYLTRANSFERASE
(Sorghum
bicolor) 		6 / 12 GLU A  99
TYR A 106
ALA A 154
PHE A 175
ALA A 178
TYR A 186
 SAM  A 301 ( 4.0A)
None
SAM  A 301 (-3.7A)
None
SAM  A 301 (-3.7A)
None
 0.55A 5n5dB-5kvaA:
26.8		 5n5dB-5kvaA:
27.82
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.
5VUN_A_ACTA804_0
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5kva CAFFEOYL-COA
O-METHYLTRANSFERASE
(Sorghum
bicolor) 		4 / 5 GLY A  82
GLN A  83
VAL A 250
SER A  78
 None
 1.44A 5vunA-5kvaA:
undetectable		 5vunA-5kvaA:
21.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X2S_I_PEMI202_1
(HEMOGLOBIN SUBUNIT
ALPHA
HEMOGLOBIN SUBUNIT
BETA)		 5kva CAFFEOYL-COA
O-METHYLTRANSFERASE
(Sorghum
bicolor) 		4 / 8 THR A  77
THR A  76
TYR A 103
PRO A  57
 SAM  A 301 (-3.5A)
SAM  A 301 (-4.7A)
SAM  A 301 (-4.8A)
None
 1.28A 5x2sI-5kvaA:
undetectable
5x2sJ-5kvaA:
undetectable
5x2sK-5kvaA:
undetectable		 5x2sI-5kvaA:
22.83
5x2sJ-5kvaA:
22.54
5x2sK-5kvaA:
22.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5X7F_A_SAMA301_0
(PUTATIVE
O-METHYLTRANSFERASE
RV1220C)		 5kva CAFFEOYL-COA
O-METHYLTRANSFERASE
(Sorghum
bicolor) 		5 / 12 GLY A 101
ILE A 126
ALA A 154
ALA A 178
TYR A 186
 SAM  A 301 (-3.4A)
SAM  A 301 (-4.2A)
SAM  A 301 (-3.7A)
SAM  A 301 (-3.7A)
None
 0.47A 5x7fA-5kvaA:
25.4		 5x7fA-5kvaA:
30.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZW4_A_SAMA302_0
(PUTATIVE
O-METHYLTRANSFERASE
YRRM)		 5kva CAFFEOYL-COA
O-METHYLTRANSFERASE
(Sorghum
bicolor) 		6 / 12 GLU A  99
GLY A 101
TYR A 106
ASN A 127
ALA A 154
ALA A 178
 SAM  A 301 ( 4.0A)
SAM  A 301 (-3.4A)
None
None
SAM  A 301 (-3.7A)
SAM  A 301 (-3.7A)
 0.67A 5zw4A-5kvaA:
26.1		 5zw4A-5kvaA:
25.17
Potential target for repurposing, i.e. matched protein structure has less than 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
(-)		 5kva CAFFEOYL-COA
O-METHYLTRANSFERASE
(Sorghum
bicolor) 		3 / 3 ASP A  41
ASP A 252
ASN A 234
 None
 0.65A 6gngB-5kvaA:
2.7		 6gngB-5kvaA:
18.89