SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3bwm'

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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1H1D_A_SAMA301_0
(CATECHOL-O-METHYLTRA
NSFERASE)		 3bwm CATECHOL
O-METHYLTRANSFERASE
(Homo
sapiens) 		10 / 12 MET A  40
ASN A  41
VAL A  42
GLY A  66
TYR A  68
TYR A  71
ASN A  92
GLN A 120
HIS A 142
TRP A 143
 SAM  A 301 (-3.7A)
SAM  A 301 (-4.7A)
SAM  A 301 ( 3.7A)
SAM  A 301 (-3.2A)
SAM  A 301 (-4.7A)
None
None
SAM  A 301 (-3.6A)
SAM  A 301 ( 4.9A)
SAM  A 301 ( 3.4A)
 0.23A 1h1dA-3bwmA:
40.1		 1h1dA-3bwmA:
81.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1H1D_A_SAMA301_1
(CATECHOL-O-METHYLTRA
NSFERASE)		 3bwm CATECHOL
O-METHYLTRANSFERASE
(Homo
sapiens) 		4 / 4 SER A  72
GLU A  90
SER A 119
ASP A 141
 SAM  A 301 (-2.9A)
SAM  A 301 (-2.8A)
SAM  A 301 (-3.1A)
MG  A 300 (-2.4A)
 0.26A 1h1dA-3bwmA:
40.1		 1h1dA-3bwmA:
81.31
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.
1KF6_B_ACTB704_0
(FUMARATE REDUCTASE
FLAVOPROTEIN
FUMARATE REDUCTASE
IRON-SULFUR PROTEIN)		 3bwm CATECHOL
O-METHYLTRANSFERASE
(Homo
sapiens) 		3 / 3 ARG A  78
GLY A  47
ASP A  51
 None
 0.37A 1kf6A-3bwmA:
4.0
1kf6B-3bwmA:
undetectable		 1kf6A-3bwmA:
16.97
1kf6B-3bwmA:
20.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1VID_A_SAMA301_0
(CATECHOL
O-METHYLTRANSFERASE)		 3bwm CATECHOL
O-METHYLTRANSFERASE
(Homo
sapiens) 		11 / 12 MET A  40
ASN A  41
VAL A  42
GLU A  64
GLY A  66
TYR A  68
TYR A  71
ASN A  92
GLN A 120
HIS A 142
TRP A 143
 SAM  A 301 (-3.7A)
SAM  A 301 (-4.7A)
SAM  A 301 ( 3.7A)
SAM  A 301 ( 4.1A)
SAM  A 301 (-3.2A)
SAM  A 301 (-4.7A)
None
None
SAM  A 301 (-3.6A)
SAM  A 301 ( 4.9A)
SAM  A 301 ( 3.4A)
 0.26A 1vidA-3bwmA:
39.2		 1vidA-3bwmA:
81.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1VID_A_SAMA301_1
(CATECHOL
O-METHYLTRANSFERASE)		 3bwm CATECHOL
O-METHYLTRANSFERASE
(Homo
sapiens) 		4 / 5 SER A  72
GLU A  90
SER A 119
ASP A 141
 SAM  A 301 (-2.9A)
SAM  A 301 (-2.8A)
SAM  A 301 (-3.1A)
MG  A 300 (-2.4A)
 0.24A 1vidA-3bwmA:
39.2		 1vidA-3bwmA:
81.31
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.
2B25_B_SAMB602_1
(HYPOTHETICAL PROTEIN)		 3bwm CATECHOL
O-METHYLTRANSFERASE
(Homo
sapiens) 		3 / 3 GLY A  66
GLU A  90
ASP A 141
 SAM  A 301 (-3.2A)
SAM  A 301 (-2.8A)
MG  A 300 (-2.4A)
 0.25A 2b25B-3bwmA:
15.3		 2b25B-3bwmA:
21.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2CL5_A_SAMA1217_0
(CATECHOL
O-METHYLTRANSFERASE)		 3bwm CATECHOL
O-METHYLTRANSFERASE
(Homo
sapiens) 		5 / 12 GLY A  66
TYR A  68
SER A 119
HIS A 142
TRP A 143
 SAM  A 301 (-3.2A)
SAM  A 301 (-4.7A)
SAM  A 301 (-3.1A)
SAM  A 301 ( 4.9A)
SAM  A 301 ( 3.4A)
 1.30A 2cl5A-3bwmA:
40.7		 2cl5A-3bwmA:
81.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2CL5_A_SAMA1217_0
(CATECHOL
O-METHYLTRANSFERASE)		 3bwm CATECHOL
O-METHYLTRANSFERASE
(Homo
sapiens) 		10 / 12 MET A  40
ASN A  41
VAL A  42
GLY A  66
TYR A  68
TYR A  71
ASN A  92
SER A 119
HIS A 142
TRP A 143
 SAM  A 301 (-3.7A)
SAM  A 301 (-4.7A)
SAM  A 301 ( 3.7A)
SAM  A 301 (-3.2A)
SAM  A 301 (-4.7A)
None
None
SAM  A 301 (-3.1A)
SAM  A 301 ( 4.9A)
SAM  A 301 ( 3.4A)
 0.18A 2cl5A-3bwmA:
40.7		 2cl5A-3bwmA:
81.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2CL5_A_SAMA1217_1
(CATECHOL
O-METHYLTRANSFERASE)		 3bwm CATECHOL
O-METHYLTRANSFERASE
(Homo
sapiens) 		4 / 4 SER A  72
GLU A  90
GLN A 120
ASP A 141
 SAM  A 301 (-2.9A)
SAM  A 301 (-2.8A)
SAM  A 301 (-3.6A)
MG  A 300 (-2.4A)
 0.14A 2cl5A-3bwmA:
40.7		 2cl5A-3bwmA:
81.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2CL5_B_SAMB1217_0
(CATECHOL
O-METHYLTRANSFERASE)		 3bwm CATECHOL
O-METHYLTRANSFERASE
(Homo
sapiens) 		11 / 12 MET A  40
ASN A  41
VAL A  42
GLU A  64
GLY A  66
TYR A  68
TYR A  71
ASN A  92
HIS A 142
TRP A 143
ARG A 146
 SAM  A 301 (-3.7A)
SAM  A 301 (-4.7A)
SAM  A 301 ( 3.7A)
SAM  A 301 ( 4.1A)
SAM  A 301 (-3.2A)
SAM  A 301 (-4.7A)
None
None
SAM  A 301 ( 4.9A)
SAM  A 301 ( 3.4A)
None
 0.39A 2cl5B-3bwmA:
39.7		 2cl5B-3bwmA:
81.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2CL5_B_SAMB1217_1
(CATECHOL
O-METHYLTRANSFERASE)		 3bwm CATECHOL
O-METHYLTRANSFERASE
(Homo
sapiens) 		5 / 6 SER A  72
GLU A  90
SER A 119
GLN A 120
ASP A 141
 SAM  A 301 (-2.9A)
SAM  A 301 (-2.8A)
SAM  A 301 (-3.1A)
SAM  A 301 (-3.6A)
MG  A 300 (-2.4A)
 0.21A 2cl5B-3bwmA:
39.7		 2cl5B-3bwmA:
81.31
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.
2NYR_B_SVRB401_1
(NAD-DEPENDENT
DEACETYLASE
SIRTUIN-5)		 3bwm CATECHOL
O-METHYLTRANSFERASE
(Homo
sapiens) 		5 / 12 ALA A  67
THR A  99
ALA A 106
ALA A  22
MET A 137
 None
 1.07A 2nyrA-3bwmA:
4.7		 2nyrA-3bwmA:
21.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ZTH_A_SAMA305_0
(CATECHOL
O-METHYLTRANSFERASE)		 3bwm CATECHOL
O-METHYLTRANSFERASE
(Homo
sapiens) 		5 / 12 GLY A  66
TYR A  68
SER A 119
HIS A 142
ARG A 146
 SAM  A 301 (-3.2A)
SAM  A 301 (-4.7A)
SAM  A 301 (-3.1A)
SAM  A 301 ( 4.9A)
None
 1.13A 2zthA-3bwmA:
35.9		 2zthA-3bwmA:
80.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ZTH_A_SAMA305_0
(CATECHOL
O-METHYLTRANSFERASE)		 3bwm CATECHOL
O-METHYLTRANSFERASE
(Homo
sapiens) 		9 / 12 VAL A  42
GLY A  66
TYR A  68
TYR A  71
ASN A  92
SER A 119
GLN A 120
HIS A 142
ARG A 146
 SAM  A 301 ( 3.7A)
SAM  A 301 (-3.2A)
SAM  A 301 (-4.7A)
None
None
SAM  A 301 (-3.1A)
SAM  A 301 (-3.6A)
SAM  A 301 ( 4.9A)
None
 0.56A 2zthA-3bwmA:
35.9		 2zthA-3bwmA:
80.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ZTH_A_SAMA305_1
(CATECHOL
O-METHYLTRANSFERASE)		 3bwm CATECHOL
O-METHYLTRANSFERASE
(Homo
sapiens) 		3 / 3 SER A  72
GLU A  90
ASP A 141
 SAM  A 301 (-2.9A)
SAM  A 301 (-2.8A)
MG  A 300 (-2.4A)
 0.27A 2zthA-3bwmA:
35.9		 2zthA-3bwmA:
80.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ZVJ_A_SAMA301_0
(CATECHOL
O-METHYLTRANSFERASE)		 3bwm CATECHOL
O-METHYLTRANSFERASE
(Homo
sapiens) 		11 / 12 MET A  40
ASN A  41
VAL A  42
GLU A  64
GLY A  66
TYR A  68
TYR A  71
ASN A  92
HIS A 142
TRP A 143
ARG A 146
 SAM  A 301 (-3.7A)
SAM  A 301 (-4.7A)
SAM  A 301 ( 3.7A)
SAM  A 301 ( 4.1A)
SAM  A 301 (-3.2A)
SAM  A 301 (-4.7A)
None
None
SAM  A 301 ( 4.9A)
SAM  A 301 ( 3.4A)
None
 0.32A 2zvjA-3bwmA:
39.7		 2zvjA-3bwmA:
80.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ZVJ_A_SAMA301_1
(CATECHOL
O-METHYLTRANSFERASE)		 3bwm CATECHOL
O-METHYLTRANSFERASE
(Homo
sapiens) 		5 / 6 SER A  72
GLU A  90
SER A 119
GLN A 120
ASP A 141
 SAM  A 301 (-2.9A)
SAM  A 301 (-2.8A)
SAM  A 301 (-3.1A)
SAM  A 301 (-3.6A)
MG  A 300 (-2.4A)
 0.23A 2zvjA-3bwmA:
39.7		 2zvjA-3bwmA:
80.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3A7E_A_SAMA216_0
(CATECHOL
O-METHYLTRANSFERASE)		 3bwm CATECHOL
O-METHYLTRANSFERASE
(Homo
sapiens) 		12 / 12 MET A  40
VAL A  42
GLU A  64
TYR A  68
TYR A  71
ASN A  92
CYH A  95
SER A 119
GLN A 120
HIS A 142
TRP A 143
ARG A 146
 SAM  A 301 (-3.7A)
SAM  A 301 ( 3.7A)
SAM  A 301 ( 4.1A)
SAM  A 301 (-4.7A)
None
None
SAM  A 301 ( 4.2A)
SAM  A 301 (-3.1A)
SAM  A 301 (-3.6A)
SAM  A 301 ( 4.9A)
SAM  A 301 ( 3.4A)
None
 0.41A 3a7eA-3bwmA:
38.9		 3a7eA-3bwmA:
98.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3A7E_A_SAMA216_1
(CATECHOL
O-METHYLTRANSFERASE)		 3bwm CATECHOL
O-METHYLTRANSFERASE
(Homo
sapiens) 		6 / 6 GLY A  66
SER A  72
ILE A  89
GLU A  90
ILE A  91
ASP A 141
 SAM  A 301 (-3.2A)
SAM  A 301 (-2.9A)
SAM  A 301 ( 4.9A)
SAM  A 301 (-2.8A)
SAM  A 301 (-3.9A)
MG  A 300 (-2.4A)
 0.39A 3a7eA-3bwmA:
38.9		 3a7eA-3bwmA:
98.61
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.
3AQI_A_CHDA3_0
(FERROCHELATASE)		 3bwm CATECHOL
O-METHYLTRANSFERASE
(Homo
sapiens) 		3 / 3 PRO A  59
LEU A  80
ARG A  78
 None
 0.92A 3aqiA-3bwmA:
2.4		 3aqiA-3bwmA:
17.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3BWM_A_SAMA301_0
(CATECHOL
O-METHYLTRANSFERASE)		 3bwm CATECHOL
O-METHYLTRANSFERASE
(Homo
sapiens) 		12 / 12 MET A  40
ASN A  41
VAL A  42
GLY A  66
TYR A  68
TYR A  71
ILE A  91
ASN A  92
SER A 119
GLN A 120
HIS A 142
TRP A 143
 SAM  A 301 (-3.7A)
SAM  A 301 (-4.7A)
SAM  A 301 ( 3.7A)
SAM  A 301 (-3.2A)
SAM  A 301 (-4.7A)
None
SAM  A 301 (-3.9A)
None
SAM  A 301 (-3.1A)
SAM  A 301 (-3.6A)
SAM  A 301 ( 4.9A)
SAM  A 301 ( 3.4A)
 0.00A 3bwmA-3bwmA:
43.7		 3bwmA-3bwmA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3BWM_A_SAMA301_1
(CATECHOL
O-METHYLTRANSFERASE)		 3bwm CATECHOL
O-METHYLTRANSFERASE
(Homo
sapiens) 		3 / 3 SER A  72
GLU A  90
ASP A 141
 SAM  A 301 (-2.9A)
SAM  A 301 (-2.8A)
MG  A 300 (-2.4A)
 0.00A 3bwmA-3bwmA:
43.7		 3bwmA-3bwmA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3BWY_A_SAMA301_0
(COMT PROTEIN)		 3bwm CATECHOL
O-METHYLTRANSFERASE
(Homo
sapiens) 		12 / 12 MET A  40
VAL A  42
GLU A  64
GLY A  66
TYR A  68
TYR A  71
ILE A  91
SER A 119
GLN A 120
HIS A 142
TRP A 143
ARG A 146
 SAM  A 301 (-3.7A)
SAM  A 301 ( 3.7A)
SAM  A 301 ( 4.1A)
SAM  A 301 (-3.2A)
SAM  A 301 (-4.7A)
None
SAM  A 301 (-3.9A)
SAM  A 301 (-3.1A)
SAM  A 301 (-3.6A)
SAM  A 301 ( 4.9A)
SAM  A 301 ( 3.4A)
None
 0.12A 3bwyA-3bwmA:
41.9		 3bwyA-3bwmA:
99.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3BWY_A_SAMA301_1
(COMT PROTEIN)		 3bwm CATECHOL
O-METHYLTRANSFERASE
(Homo
sapiens) 		3 / 3 SER A  72
GLU A  90
ASP A 141
 SAM  A 301 (-2.9A)
SAM  A 301 (-2.8A)
MG  A 300 (-2.4A)
 0.13A 3bwyA-3bwmA:
41.9		 3bwyA-3bwmA:
99.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3S68_A_SAMA228_0
(CATECHOL
O-METHYLTRANSFERASE)		 3bwm CATECHOL
O-METHYLTRANSFERASE
(Homo
sapiens) 		10 / 10 MET A  40
GLU A  64
GLY A  66
TYR A  68
SER A  72
GLU A  90
SER A 119
GLN A 120
ASP A 141
TRP A 143
 SAM  A 301 (-3.7A)
SAM  A 301 ( 4.1A)
SAM  A 301 (-3.2A)
SAM  A 301 (-4.7A)
SAM  A 301 (-2.9A)
SAM  A 301 (-2.8A)
SAM  A 301 (-3.1A)
SAM  A 301 (-3.6A)
MG  A 300 (-2.4A)
SAM  A 301 ( 3.4A)
 0.19A 3s68A-3bwmA:
40.7		 3s68A-3bwmA:
81.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3S68_A_SAMA228_1
(CATECHOL
O-METHYLTRANSFERASE)		 3bwm CATECHOL
O-METHYLTRANSFERASE
(Homo
sapiens) 		9 / 12 ASN A  41
VAL A  42
TYR A  71
ASN A  92
ALA A 118
PHE A 139
HIS A 142
LYS A 144
ARG A 146
 SAM  A 301 (-4.7A)
SAM  A 301 ( 3.7A)
None
None
SAM  A 301 (-4.2A)
None
SAM  A 301 ( 4.9A)
DNC  A 302 (-2.7A)
None
 0.23A 3s68A-3bwmA:
40.7		 3s68A-3bwmA:
81.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3S68_A_TCWA227_1
(CATECHOL
O-METHYLTRANSFERASE)		 3bwm CATECHOL
O-METHYLTRANSFERASE
(Homo
sapiens) 		10 / 10 TRP A  38
MET A  40
ASP A 141
TRP A 143
LYS A 144
ASP A 169
ASN A 170
PRO A 174
LEU A 198
GLU A 199
 DNC  A 302 (-4.9A)
SAM  A 301 (-3.7A)
MG  A 300 (-2.4A)
SAM  A 301 ( 3.4A)
DNC  A 302 (-2.7A)
MG  A 300 ( 3.3A)
DNC  A 302 ( 2.5A)
DNC  A 302 ( 4.6A)
DNC  A 302 (-4.5A)
DNC  A 302 (-2.6A)
 0.21A 3s68A-3bwmA:
40.7		 3s68A-3bwmA:
81.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4PYL_A_TCWA303_1
(CATECHOL
O-METHYLTRANSFERASE)		 3bwm CATECHOL
O-METHYLTRANSFERASE
(Homo
sapiens) 		10 / 10 TRP A  38
MET A  40
ASP A 141
TRP A 143
LYS A 144
ASP A 169
ASN A 170
PRO A 174
LEU A 198
GLU A 199
 DNC  A 302 (-4.9A)
SAM  A 301 (-3.7A)
MG  A 300 (-2.4A)
SAM  A 301 ( 3.4A)
DNC  A 302 (-2.7A)
MG  A 300 ( 3.3A)
DNC  A 302 ( 2.5A)
DNC  A 302 ( 4.6A)
DNC  A 302 (-4.5A)
DNC  A 302 (-2.6A)
 0.26A 4pylA-3bwmA:
40.0		 4pylA-3bwmA:
81.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4XUC_A_SAMA303_0
(CATECHOL
O-METHYLTRANSFERASE)		 3bwm CATECHOL
O-METHYLTRANSFERASE
(Homo
sapiens) 		12 / 12 MET A  40
ASN A  41
VAL A  42
GLU A  64
GLY A  66
TYR A  68
TYR A  71
ILE A  89
ILE A  91
GLN A 120
HIS A 142
TRP A 143
 SAM  A 301 (-3.7A)
SAM  A 301 (-4.7A)
SAM  A 301 ( 3.7A)
SAM  A 301 ( 4.1A)
SAM  A 301 (-3.2A)
SAM  A 301 (-4.7A)
None
SAM  A 301 ( 4.9A)
SAM  A 301 (-3.9A)
SAM  A 301 (-3.6A)
SAM  A 301 ( 4.9A)
SAM  A 301 ( 3.4A)
 0.27A 4xucA-3bwmA:
40.9		 4xucA-3bwmA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4XUC_A_SAMA303_1
(CATECHOL
O-METHYLTRANSFERASE)		 3bwm CATECHOL
O-METHYLTRANSFERASE
(Homo
sapiens) 		4 / 4 SER A  72
GLU A  90
SER A 119
ASP A 141
 SAM  A 301 (-2.9A)
SAM  A 301 (-2.8A)
SAM  A 301 (-3.1A)
MG  A 300 (-2.4A)
 0.21A 4xucA-3bwmA:
40.9		 4xucA-3bwmA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4XUD_A_SAMA303_0
(CATECHOL
O-METHYLTRANSFERASE)		 3bwm CATECHOL
O-METHYLTRANSFERASE
(Homo
sapiens) 		12 / 12 MET A  40
VAL A  42
GLU A  64
GLY A  66
TYR A  68
TYR A  71
ILE A  89
ILE A  91
SER A 119
GLN A 120
HIS A 142
TRP A 143
 SAM  A 301 (-3.7A)
SAM  A 301 ( 3.7A)
SAM  A 301 ( 4.1A)
SAM  A 301 (-3.2A)
SAM  A 301 (-4.7A)
None
SAM  A 301 ( 4.9A)
SAM  A 301 (-3.9A)
SAM  A 301 (-3.1A)
SAM  A 301 (-3.6A)
SAM  A 301 ( 4.9A)
SAM  A 301 ( 3.4A)
 0.32A 4xudA-3bwmA:
40.6		 4xudA-3bwmA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4XUD_A_SAMA303_0
(CATECHOL
O-METHYLTRANSFERASE)		 3bwm CATECHOL
O-METHYLTRANSFERASE
(Homo
sapiens) 		5 / 12 VAL A  50
GLU A  64
ILE A  89
SER A 119
GLN A 120
 None
SAM  A 301 ( 4.1A)
SAM  A 301 ( 4.9A)
SAM  A 301 (-3.1A)
SAM  A 301 (-3.6A)
 1.38A 4xudA-3bwmA:
40.6		 4xudA-3bwmA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4XUD_A_SAMA303_1
(CATECHOL
O-METHYLTRANSFERASE)		 3bwm CATECHOL
O-METHYLTRANSFERASE
(Homo
sapiens) 		3 / 3 SER A  72
GLU A  90
ASP A 141
 SAM  A 301 (-2.9A)
SAM  A 301 (-2.8A)
MG  A 300 (-2.4A)
 0.11A 4xudA-3bwmA:
40.6		 4xudA-3bwmA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4XUE_A_SAMA303_0
(CATECHOL
O-METHYLTRANSFERASE)		 3bwm CATECHOL
O-METHYLTRANSFERASE
(Homo
sapiens) 		12 / 12 MET A  40
ASN A  41
VAL A  42
TYR A  68
ILE A  89
ILE A  91
ASN A  92
CYH A  95
SER A 119
GLN A 120
HIS A 142
TRP A 143
 SAM  A 301 (-3.7A)
SAM  A 301 (-4.7A)
SAM  A 301 ( 3.7A)
SAM  A 301 (-4.7A)
SAM  A 301 ( 4.9A)
SAM  A 301 (-3.9A)
None
SAM  A 301 ( 4.2A)
SAM  A 301 (-3.1A)
SAM  A 301 (-3.6A)
SAM  A 301 ( 4.9A)
SAM  A 301 ( 3.4A)
 0.20A 4xueA-3bwmA:
41.1		 4xueA-3bwmA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4XUE_A_SAMA303_1
(CATECHOL
O-METHYLTRANSFERASE)		 3bwm CATECHOL
O-METHYLTRANSFERASE
(Homo
sapiens) 		5 / 5 GLY A  66
TYR A  71
SER A  72
GLU A  90
ASP A 141
 SAM  A 301 (-3.2A)
None
SAM  A 301 (-2.9A)
SAM  A 301 (-2.8A)
MG  A 300 (-2.4A)
 0.13A 4xueA-3bwmA:
41.1		 4xueA-3bwmA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4XUE_B_SAMB303_0
(CATECHOL
O-METHYLTRANSFERASE)		 3bwm CATECHOL
O-METHYLTRANSFERASE
(Homo
sapiens) 		12 / 12 MET A  40
VAL A  42
GLY A  66
TYR A  68
TYR A  71
SER A  72
ILE A  91
ASN A  92
SER A 119
GLN A 120
HIS A 142
TRP A 143
 SAM  A 301 (-3.7A)
SAM  A 301 ( 3.7A)
SAM  A 301 (-3.2A)
SAM  A 301 (-4.7A)
None
SAM  A 301 (-2.9A)
SAM  A 301 (-3.9A)
None
SAM  A 301 (-3.1A)
SAM  A 301 (-3.6A)
SAM  A 301 ( 4.9A)
SAM  A 301 ( 3.4A)
 0.15A 4xueB-3bwmA:
41.2		 4xueB-3bwmA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Y0Q_A_PX9A201_1
(BETA-LACTOGLOBULIN)		 3bwm CATECHOL
O-METHYLTRANSFERASE
(Homo
sapiens) 		3 / 3 LYS A   5
ILE A   9
ILE A  29
 None
 0.57A 4y0qA-3bwmA:
undetectable		 4y0qA-3bwmA:
23.01
Potential target for repurposing, i.e. matched protein structure has less than 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)		 3bwm CATECHOL
O-METHYLTRANSFERASE
(Homo
sapiens) 		5 / 12 GLY A  66
TYR A  68
TYR A  71
SER A  72
ASP A 141
 SAM  A 301 (-3.2A)
SAM  A 301 (-4.7A)
None
SAM  A 301 (-2.9A)
MG  A 300 (-2.4A)
 0.22A 4ymgB-3bwmA:
20.4		 4ymgB-3bwmA:
26.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5FHQ_A_SAMA301_0
(CATECHOL
O-METHYLTRANSFERASE)		 3bwm CATECHOL
O-METHYLTRANSFERASE
(Homo
sapiens) 		9 / 12 VAL A  42
GLU A  64
TYR A  71
ASN A  92
ALA A 118
HIS A 142
LYS A 144
ARG A 146
ASP A 150
 SAM  A 301 ( 3.7A)
SAM  A 301 ( 4.1A)
None
None
SAM  A 301 (-4.2A)
SAM  A 301 ( 4.9A)
DNC  A 302 (-2.7A)
None
None
 0.20A 5fhqA-3bwmA:
34.9		 5fhqA-3bwmA:
81.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5FHQ_A_SAMA301_1
(CATECHOL
O-METHYLTRANSFERASE)		 3bwm CATECHOL
O-METHYLTRANSFERASE
(Homo
sapiens) 		9 / 9 MET A  40
GLY A  66
TYR A  68
SER A  72
GLU A  90
SER A 119
GLN A 120
ASP A 141
TRP A 143
 SAM  A 301 (-3.7A)
SAM  A 301 (-3.2A)
SAM  A 301 (-4.7A)
SAM  A 301 (-2.9A)
SAM  A 301 (-2.8A)
SAM  A 301 (-3.1A)
SAM  A 301 (-3.6A)
MG  A 300 (-2.4A)
SAM  A 301 ( 3.4A)
 0.21A 5fhqA-3bwmA:
34.9		 5fhqA-3bwmA:
81.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5FHR_A_SAMA303_0
(CATECHOL
O-METHYLTRANSFERASE)		 3bwm CATECHOL
O-METHYLTRANSFERASE
(Homo
sapiens) 		11 / 12 MET A  40
ASN A  41
VAL A  42
GLU A  64
GLY A  66
TYR A  68
TYR A  71
ASN A  92
GLN A 120
HIS A 142
TRP A 143
 SAM  A 301 (-3.7A)
SAM  A 301 (-4.7A)
SAM  A 301 ( 3.7A)
SAM  A 301 ( 4.1A)
SAM  A 301 (-3.2A)
SAM  A 301 (-4.7A)
None
None
SAM  A 301 (-3.6A)
SAM  A 301 ( 4.9A)
SAM  A 301 ( 3.4A)
 0.29A 5fhrA-3bwmA:
34.3		 5fhrA-3bwmA:
80.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5FHR_A_SAMA303_1
(CATECHOL
O-METHYLTRANSFERASE)		 3bwm CATECHOL
O-METHYLTRANSFERASE
(Homo
sapiens) 		4 / 5 SER A  72
GLU A  90
SER A 119
ASP A 141
 SAM  A 301 (-2.9A)
SAM  A 301 (-2.8A)
SAM  A 301 (-3.1A)
MG  A 300 (-2.4A)
 0.22A 5fhrA-3bwmA:
34.3		 5fhrA-3bwmA:
80.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5FHR_B_SAMB303_0
(CATECHOL
O-METHYLTRANSFERASE)		 3bwm CATECHOL
O-METHYLTRANSFERASE
(Homo
sapiens) 		10 / 12 MET A  40
ASN A  41
VAL A  42
GLU A  64
GLY A  66
TYR A  68
TYR A  71
ASN A  92
HIS A 142
TRP A 143
 SAM  A 301 (-3.7A)
SAM  A 301 (-4.7A)
SAM  A 301 ( 3.7A)
SAM  A 301 ( 4.1A)
SAM  A 301 (-3.2A)
SAM  A 301 (-4.7A)
None
None
SAM  A 301 ( 4.9A)
SAM  A 301 ( 3.4A)
 0.22A 5fhrB-3bwmA:
34.3		 5fhrB-3bwmA:
80.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5FHR_B_SAMB303_1
(CATECHOL
O-METHYLTRANSFERASE)		 3bwm CATECHOL
O-METHYLTRANSFERASE
(Homo
sapiens) 		5 / 5 SER A  72
GLU A  90
SER A 119
GLN A 120
ASP A 141
 SAM  A 301 (-2.9A)
SAM  A 301 (-2.8A)
SAM  A 301 (-3.1A)
SAM  A 301 (-3.6A)
MG  A 300 (-2.4A)
 0.24A 5fhrB-3bwmA:
34.3		 5fhrB-3bwmA:
80.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IWU_A_ERYA404_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)		 3bwm CATECHOL
O-METHYLTRANSFERASE
(Homo
sapiens) 		4 / 6 GLY A  66
ASP A 205
ILE A  49
TYR A 147
 SAM  A 301 (-3.2A)
None
None
None
 1.07A 5iwuA-3bwmA:
undetectable		 5iwuA-3bwmA:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5KVA_A_SAMA301_0
(CAFFEOYL-COA
O-METHYLTRANSFERASE)		 3bwm CATECHOL
O-METHYLTRANSFERASE
(Homo
sapiens) 		6 / 12 GLU A  64
GLY A  66
TYR A  68
TYR A  71
ILE A  91
ASP A 141
 SAM  A 301 ( 4.1A)
SAM  A 301 (-3.2A)
SAM  A 301 (-4.7A)
None
SAM  A 301 (-3.9A)
MG  A 300 (-2.4A)
 0.58A 5kvaA-3bwmA:
21.3		 5kvaA-3bwmA:
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.
5KVA_A_SAMA301_0
(CAFFEOYL-COA
O-METHYLTRANSFERASE)		 3bwm CATECHOL
O-METHYLTRANSFERASE
(Homo
sapiens) 		6 / 12 MET A  40
GLU A  64
GLY A  66
TYR A  68
ILE A  91
ASP A 141
 SAM  A 301 (-3.7A)
SAM  A 301 ( 4.1A)
SAM  A 301 (-3.2A)
SAM  A 301 (-4.7A)
SAM  A 301 (-3.9A)
MG  A 300 (-2.4A)
 0.65A 5kvaA-3bwmA:
21.3		 5kvaA-3bwmA:
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.
5KVA_B_SAMB301_0
(CAFFEOYL-COA
O-METHYLTRANSFERASE)		 3bwm CATECHOL
O-METHYLTRANSFERASE
(Homo
sapiens) 		6 / 12 GLU A  64
GLY A  66
TYR A  68
TYR A  71
ILE A  91
ASP A 141
 SAM  A 301 ( 4.1A)
SAM  A 301 (-3.2A)
SAM  A 301 (-4.7A)
None
SAM  A 301 (-3.9A)
MG  A 300 (-2.4A)
 0.56A 5kvaB-3bwmA:
21.3		 5kvaB-3bwmA:
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.
5KVA_B_SAMB301_0
(CAFFEOYL-COA
O-METHYLTRANSFERASE)		 3bwm CATECHOL
O-METHYLTRANSFERASE
(Homo
sapiens) 		6 / 12 MET A  40
GLU A  64
GLY A  66
TYR A  68
ILE A  91
ASP A 141
 SAM  A 301 (-3.7A)
SAM  A 301 ( 4.1A)
SAM  A 301 (-3.2A)
SAM  A 301 (-4.7A)
SAM  A 301 (-3.9A)
MG  A 300 (-2.4A)
 0.67A 5kvaB-3bwmA:
21.3		 5kvaB-3bwmA:
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.
5LOG_A_LDPA1004_1
(PUTATIVE
O-METHYLTRANSFERASE)		 3bwm CATECHOL
O-METHYLTRANSFERASE
(Homo
sapiens) 		5 / 6 MET A  40
ASP A 141
LYS A 144
ASP A 169
ASN A 170
 SAM  A 301 (-3.7A)
MG  A 300 (-2.4A)
DNC  A 302 (-2.7A)
MG  A 300 ( 3.3A)
DNC  A 302 ( 2.5A)
 0.43A 5logA-3bwmA:
22.5		 5logA-3bwmA:
24.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5LSA_A_SAMA303_0
(CATECHOL
O-METHYLTRANSFERASE)		 3bwm CATECHOL
O-METHYLTRANSFERASE
(Homo
sapiens) 		12 / 12 MET A  40
ASN A  41
VAL A  42
GLU A  64
GLY A  66
TYR A  68
ILE A  91
SER A 119
GLN A 120
HIS A 142
TRP A 143
ARG A 146
 SAM  A 301 (-3.7A)
SAM  A 301 (-4.7A)
SAM  A 301 ( 3.7A)
SAM  A 301 ( 4.1A)
SAM  A 301 (-3.2A)
SAM  A 301 (-4.7A)
SAM  A 301 (-3.9A)
SAM  A 301 (-3.1A)
SAM  A 301 (-3.6A)
SAM  A 301 ( 4.9A)
SAM  A 301 ( 3.4A)
None
 0.22A 5lsaA-3bwmA:
40.6		 5lsaA-3bwmA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5LSA_A_SAMA303_1
(CATECHOL
O-METHYLTRANSFERASE)		 3bwm CATECHOL
O-METHYLTRANSFERASE
(Homo
sapiens) 		4 / 4 TYR A  71
SER A  72
GLU A  90
ASP A 141
 None
SAM  A 301 (-2.9A)
SAM  A 301 (-2.8A)
MG  A 300 (-2.4A)
 0.12A 5lsaA-3bwmA:
40.6		 5lsaA-3bwmA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5N5D_A_SAMA306_0
(METHYLTRANSFERASE)		 3bwm CATECHOL
O-METHYLTRANSFERASE
(Homo
sapiens) 		5 / 12 VAL A  42
GLU A  64
GLY A  66
TYR A  71
PHE A 139
 SAM  A 301 ( 3.7A)
SAM  A 301 ( 4.1A)
SAM  A 301 (-3.2A)
None
None
 0.43A 5n5dA-3bwmA:
22.8		 5n5dA-3bwmA:
30.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5N5D_A_SAMA306_1
(METHYLTRANSFERASE)		 3bwm CATECHOL
O-METHYLTRANSFERASE
(Homo
sapiens) 		4 / 7 SER A  72
ILE A  89
GLU A  90
ASP A 141
 SAM  A 301 (-2.9A)
SAM  A 301 ( 4.9A)
SAM  A 301 (-2.8A)
MG  A 300 (-2.4A)
 0.29A 5n5dA-3bwmA:
22.8		 5n5dA-3bwmA:
30.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5N5D_B_SAMB303_0
(METHYLTRANSFERASE)		 3bwm CATECHOL
O-METHYLTRANSFERASE
(Homo
sapiens) 		5 / 12 VAL A  42
GLU A  64
TYR A  71
ILE A  89
PHE A 139
 SAM  A 301 ( 3.7A)
SAM  A 301 ( 4.1A)
None
SAM  A 301 ( 4.9A)
None
 0.46A 5n5dB-3bwmA:
22.8		 5n5dB-3bwmA:
30.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5N5D_B_SAMB303_1
(METHYLTRANSFERASE)		 3bwm CATECHOL
O-METHYLTRANSFERASE
(Homo
sapiens) 		4 / 7 GLY A  66
SER A  72
GLU A  90
ASP A 141
 SAM  A 301 (-3.2A)
SAM  A 301 (-2.9A)
SAM  A 301 (-2.8A)
MG  A 300 (-2.4A)
 0.19A 5n5dB-3bwmA:
22.8		 5n5dB-3bwmA:
30.67
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.
5X80_B_SALB203_1
(UNCHARACTERIZED
HTH-TYPE
TRANSCRIPTIONAL
REGULATOR RV2887)		 3bwm CATECHOL
O-METHYLTRANSFERASE
(Homo
sapiens) 		4 / 6 GLY A  70
TYR A  71
LEU A  86
VAL A 108
 None
 0.88A 5x80A-3bwmA:
undetectable
5x80B-3bwmA:
undetectable		 5x80A-3bwmA:
23.85
5x80B-3bwmA:
23.85
Potential target for repurposing, i.e. matched protein structure has less than 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_C_ADNC502_1
(ADENOSYLHOMOCYSTEINA
SE)		 3bwm CATECHOL
O-METHYLTRANSFERASE
(Homo
sapiens) 		3 / 3 LEU A 198
GLY A 206
PHE A 139
 DNC  A 302 (-4.5A)
None
None
 0.57A 6exiC-3bwmA:
6.4		 6exiC-3bwmA:
15.49