SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3e2i'

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.
2J2P_A_SC2A1290_1
(FICOLIN-2)		 3e2i THYMIDINE KINASE
(Staphylococcus
aureus) 		4 / 5 ASP A  88
SER A  22
LEU A 116
GLY A 115
 None
GOL  A 201 (-2.8A)
None
None
 1.01A 2j2pA-3e2iA:
undetectable
2j2pB-3e2iA:
undetectable		 2j2pA-3e2iA:
21.65
2j2pB-3e2iA:
21.65
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.
2J2P_C_SC2C1289_1
(FICOLIN-2)		 3e2i THYMIDINE KINASE
(Staphylococcus
aureus) 		4 / 6 ASP A  88
SER A  22
LEU A 116
GLY A 115
 None
GOL  A 201 (-2.8A)
None
None
 0.98A 2j2pA-3e2iA:
undetectable
2j2pC-3e2iA:
undetectable		 2j2pA-3e2iA:
21.65
2j2pC-3e2iA:
21.65
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.
2J2P_F_SC2F1289_1
(FICOLIN-2)		 3e2i THYMIDINE KINASE
(Staphylococcus
aureus) 		4 / 6 ASP A  88
SER A  22
LEU A 116
GLY A 115
 None
GOL  A 201 (-2.8A)
None
None
 0.98A 2j2pD-3e2iA:
undetectable
2j2pF-3e2iA:
undetectable		 2j2pD-3e2iA:
21.65
2j2pF-3e2iA:
21.65
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.
2YS6_A_GLYA431_0
(PHOSPHORIBOSYLGLYCIN
AMIDE SYNTHETASE)		 3e2i THYMIDINE KINASE
(Staphylococcus
aureus) 		4 / 8 ARG A 154
GLY A 122
PRO A 124
GLU A 123
 None
 0.96A 2ys6A-3e2iA:
undetectable		 2ys6A-3e2iA:
21.95
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.
4MJW_A_ACTA603_0
(CHOLINE OXIDASE)		 3e2i THYMIDINE KINASE
(Staphylococcus
aureus) 		3 / 3 ARG A 154
HIS A 187
SER A 153
 None
 0.77A 4mjwA-3e2iA:
undetectable
4mjwB-3e2iA:
undetectable		 4mjwA-3e2iA:
17.71
4mjwB-3e2iA:
17.71
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.
4MJW_B_ACTB603_0
(CHOLINE OXIDASE)		 3e2i THYMIDINE KINASE
(Staphylococcus
aureus) 		3 / 3 SER A 153
ARG A 154
HIS A 187
 None
 0.80A 4mjwA-3e2iA:
undetectable
4mjwB-3e2iA:
undetectable		 4mjwA-3e2iA:
17.71
4mjwB-3e2iA:
17.71