SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'DNC'


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.
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.
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
Potential target for repurposing, i.e. matched protein structure has less than 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
Potential target for repurposing, i.e. matched protein structure has less than 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