SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3KP'


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.
2OTF_A_2TNA201_1
(PHOSPHOLIPASE A2
VRV-PL-VIIIA)		 4fwb HALOALKANE
DEHALOGENASE
(Rhodococcus
rhodochrous) 		4 / 5 LEU A 221
ILE A 132
SER A 109
GLY A 112
 None
3KP  A2001 (-4.6A)
None
None
 0.91A 2otfA-4fwbA:
undetectable		 2otfA-4fwbA:
14.92
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.
2YDO_A_ADNA400_1
(ADENOSINE RECEPTOR
A2A)		 4fwb HALOALKANE
DEHALOGENASE
(Rhodococcus
rhodochrous) 		5 / 12 LEU A  66
PHE A 205
GLU A 208
ILE A 132
SER A 109
 None
None
None
3KP  A2001 (-4.6A)
None
 1.37A 2ydoA-4fwbA:
undetectable		 2ydoA-4fwbA:
19.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3FBW_A_BEZA501_0
(HALOALKANE
DEHALOGENASE)		 4fwb HALOALKANE
DEHALOGENASE
(Rhodococcus
rhodochrous) 		8 / 9 ASN A  41
ASP A 106
TRP A 107
PHE A 149
PHE A 168
TYR A 176
LEU A 209
HIS A 272
 CL  A2002 (-4.3A)
3KP  A2001 ( 2.3A)
CL  A2002 (-4.7A)
3KP  A2001 (-4.7A)
CL  A2005 ( 4.6A)
CL  A2005 (-4.3A)
CL  A2002 ( 4.7A)
CL  A2003 ( 3.7A)
 0.26A 3fbwA-4fwbA:
53.2		 3fbwA-4fwbA:
98.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4F5Z_A_BEZA302_0
(HALOALKANE
DEHALOGENASE)		 4fwb HALOALKANE
DEHALOGENASE
(Rhodococcus
rhodochrous) 		6 / 8 ASN A  41
ASP A 106
TRP A 107
PHE A 168
LEU A 209
HIS A 272
 CL  A2002 (-4.3A)
3KP  A2001 ( 2.3A)
CL  A2002 (-4.7A)
CL  A2005 ( 4.6A)
CL  A2002 ( 4.7A)
CL  A2003 ( 3.7A)
 0.18A 4f5zA-4fwbA:
54.2		 4f5zA-4fwbA:
97.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4F5Z_A_BEZA302_0
(HALOALKANE
DEHALOGENASE)		 4fwb HALOALKANE
DEHALOGENASE
(Rhodococcus
rhodochrous) 		4 / 8 ASP A 106
TRP A 107
PHE A 149
HIS A 272
 3KP  A2001 ( 2.3A)
CL  A2002 (-4.7A)
3KP  A2001 (-4.7A)
CL  A2003 ( 3.7A)
 1.17A 4f5zA-4fwbA:
54.2		 4f5zA-4fwbA:
97.60
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.
5IGY_A_ERYA403_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)		 4fwb HALOALKANE
DEHALOGENASE
(Rhodococcus
rhodochrous) 		4 / 6 TYR A 225
ASP A 106
ILE A 247
ARG A 133
 None
3KP  A2001 ( 2.3A)
None
None
 1.00A 5igyA-4fwbA:
undetectable		 5igyA-4fwbA:
21.35