SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2ja1'

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.
1PBK_A_RAPA225_1
(FKBP25)		 2ja1 THYMIDINE KINASE
(Bacillus
cereus) 		5 / 12 GLY A 115
VAL A 113
ILE A  87
ALA A  39
ILE A  40
 None
 0.89A 1pbkA-2ja1A:
undetectable		 1pbkA-2ja1A:
19.31
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.
2J2P_C_SC2C1289_1
(FICOLIN-2)		 2ja1 THYMIDINE KINASE
(Bacillus
cereus) 		4 / 6 ASP A  88
SER A  22
LEU A 116
GLY A 115
 TTP  A1193 (-3.4A)
TTP  A1193 (-2.7A)
MPD  A1194 (-4.6A)
None
 1.03A 2j2pA-2ja1A:
undetectable
2j2pC-2ja1A:
undetectable		 2j2pA-2ja1A:
20.69
2j2pC-2ja1A:
20.69
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.
3LN1_D_CELD682_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		 2ja1 THYMIDINE KINASE
(Bacillus
cereus) 		4 / 5 ARG A 121
LEU A 116
ILE A  46
PHE A  92
 None
MPD  A1194 (-4.6A)
None
MPD  A1194 (-4.9A)
 1.20A 3ln1D-2ja1A:
undetectable		 3ln1D-2ja1A:
15.67
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.
4MJW_A_ACTA603_0
(CHOLINE OXIDASE)		 2ja1 THYMIDINE KINASE
(Bacillus
cereus) 		3 / 3 ARG A 154
HIS A 187
SER A 153
 None
 0.92A 4mjwA-2ja1A:
undetectable
4mjwB-2ja1A:
undetectable		 4mjwA-2ja1A:
15.77
4mjwB-2ja1A:
15.77
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)		 2ja1 THYMIDINE KINASE
(Bacillus
cereus) 		3 / 3 SER A 153
ARG A 154
HIS A 187
 None
 0.93A 4mjwA-2ja1A:
undetectable
4mjwB-2ja1A:
undetectable		 4mjwA-2ja1A:
15.77
4mjwB-2ja1A:
15.77
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.
4MK4_B_CHDB504_0
(FERROCHELATASE,
MITOCHONDRIAL)		 2ja1 THYMIDINE KINASE
(Bacillus
cereus) 		3 / 3 LEU A  25
ILE A  26
ARG A  30
 None
 0.63A 4mk4B-2ja1A:
2.8		 4mk4B-2ja1A:
18.31