SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'IBD'


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.
1S14_A_NOVA1300_1
(TOPOISOMERASE IV
SUBUNIT B)		 3peh ENDOPLASMIN HOMOLOG
(Plasmodium
falciparum) 		5 / 12 ASP A 109
ASP A 148
MET A 153
ASP A 212
THR A 241
 None
IBD  A1001 (-3.4A)
IBD  A1001 (-3.8A)
None
IBD  A1001 (-3.6A)
 1.35A 1s14A-3pehA:
10.5		 1s14A-3pehA:
23.08
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.
2OPX_A_DXCA1001_0
(ALDEHYDE
DEHYDROGENASE A)		 3peh ENDOPLASMIN HOMOLOG
(Plasmodium
falciparum) 		4 / 7 LEU A 245
ILE A 243
ASN A 106
PHE A 194
 None
None
IBD  A1001 ( 4.0A)
IBD  A1001 ( 4.3A)
 0.94A 2opxA-3pehA:
undetectable		 2opxA-3pehA:
18.61
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.
3S45_B_478B201_1
(PROTEASE)		 3peh ENDOPLASMIN HOMOLOG
(Plasmodium
falciparum) 		5 / 9 ASP A  86
ILE A  87
ILE A 165
ILE A 187
ILE A  88
 None
None
IBD  A1001 (-4.6A)
None
None
 0.87A 3s45A-3pehA:
undetectable		 3s45A-3pehA:
16.73
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.
4C9L_A_CAMA1419_0
(CYTOCHROME P450)		 3peh ENDOPLASMIN HOMOLOG
(Plasmodium
falciparum) 		5 / 12 ILE A 228
GLY A 152
THR A 241
VAL A 206
ILE A 217
 None
IBD  A1001 (-3.9A)
IBD  A1001 (-3.6A)
None
None
 1.01A 4c9lA-3pehA:
undetectable		 4c9lA-3pehA:
21.32
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.
4C9L_B_CAMB1419_0
(CYTOCHROME P450)		 3peh ENDOPLASMIN HOMOLOG
(Plasmodium
falciparum) 		5 / 12 ILE A 228
GLY A 152
THR A 241
VAL A 206
ILE A 217
 None
IBD  A1001 (-3.9A)
IBD  A1001 (-3.6A)
None
None
 1.02A 4c9lB-3pehA:
undetectable		 4c9lB-3pehA:
21.32
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.
4C9O_A_CAMA423_0
(CYTOCHROME P450)		 3peh ENDOPLASMIN HOMOLOG
(Plasmodium
falciparum) 		5 / 12 ILE A 228
GLY A 152
THR A 241
VAL A 206
ILE A 217
 None
IBD  A1001 (-3.9A)
IBD  A1001 (-3.6A)
None
None
 1.03A 4c9oA-3pehA:
undetectable		 4c9oA-3pehA:
21.32
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.
4C9O_B_CAMB423_0
(CYTOCHROME P450)		 3peh ENDOPLASMIN HOMOLOG
(Plasmodium
falciparum) 		5 / 12 ILE A 228
GLY A 152
THR A 241
VAL A 206
ILE A 217
 None
IBD  A1001 (-3.9A)
IBD  A1001 (-3.6A)
None
None
 1.03A 4c9oB-3pehA:
undetectable		 4c9oB-3pehA:
21.32