SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'IH4'


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.
2O4N_A_TPVA300_2
(PROTEASE)		 2bju PLASMEPSIN II
(Plasmodium
falciparum) 		5 / 8 LEU A 168
ALA A  20
GLY A 122
ILE A 123
LEU A   8
 None
None
IH4  A1330 ( 3.9A)
IH4  A1330 ( 4.4A)
None
 1.27A 2o4nB-2bjuA:
6.2		 2o4nB-2bjuA:
13.41
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.
2V0Z_C_C41C1328_1
(RENIN)		 2bju PLASMEPSIN II
(Plasmodium
falciparum) 		6 / 12 ASP A  34
GLY A  36
SER A  37
ASP A 214
GLY A 216
SER A 218
 IH4  A1330 (-4.2A)
IH4  A1330 ( 4.6A)
IH4  A1330 ( 4.6A)
IH4  A1330 (-3.3A)
IH4  A1330 ( 4.3A)
IH4  A1331 (-3.9A)
 0.57A 2v0zC-2bjuA:
38.7		 2v0zC-2bjuA:
27.74
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.
2V0Z_O_C41O1327_1
(RENIN)		 2bju PLASMEPSIN II
(Plasmodium
falciparum) 		5 / 12 ASP A  34
GLY A  36
ASP A 214
GLY A 216
SER A 218
 IH4  A1330 (-4.2A)
IH4  A1330 ( 4.6A)
IH4  A1330 (-3.3A)
IH4  A1330 ( 4.3A)
IH4  A1331 (-3.9A)
 0.64A 2v0zO-2bjuA:
38.4		 2v0zO-2bjuA:
27.74
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.
2W98_B_P1ZB1358_1
(PROSTAGLANDIN
REDUCTASE 2)		 2bju PLASMEPSIN II
(Plasmodium
falciparum) 		4 / 6 ASP A 214
TYR A 192
PHE A 305
LEU A 197
 IH4  A1330 (-3.3A)
IH4  A1330 (-4.0A)
None
None
 1.09A 2w98A-2bjuA:
undetectable
2w98B-2bjuA:
undetectable		 2w98A-2bjuA:
21.77
2w98B-2bjuA:
21.77
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.
3KO0_Q_TFPQ201_1
(PROTEIN S100-A4)		 2bju PLASMEPSIN II
(Plasmodium
falciparum) 		4 / 8 GLY A 110
PHE A 111
ILE A 103
PHE A 120
 None
IH4  A1330 (-3.4A)
None
None
 0.98A 3ko0O-2bjuA:
undetectable
3ko0Q-2bjuA:
undetectable		 3ko0O-2bjuA:
12.86
3ko0Q-2bjuA:
12.86
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.
3PRS_A_RITA1001_2
(ENDOTHIAPEPSIN)		 2bju PLASMEPSIN II
(Plasmodium
falciparum) 		5 / 12 ASP A  34
GLY A  36
ASP A 214
THR A 217
ILE A 300
 IH4  A1330 (-4.2A)
IH4  A1330 ( 4.6A)
IH4  A1330 (-3.3A)
IH4  A1331 ( 4.1A)
IH4  A1330 (-4.5A)
 0.20A 3prsA-2bjuA:
35.4		 3prsA-2bjuA:
20.27
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.
3PWW_A_ROCA1001_1
(ENDOTHIAPEPSIN)		 2bju PLASMEPSIN II
(Plasmodium
falciparum) 		5 / 12 ASP A  34
PHE A 111
ILE A 212
THR A 217
ILE A 300
 IH4  A1330 (-4.2A)
IH4  A1330 (-3.4A)
IH4  A1330 ( 4.0A)
IH4  A1331 ( 4.1A)
IH4  A1330 (-4.5A)
 0.72A 3pwwA-2bjuA:
35.4		 3pwwA-2bjuA:
20.27
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.
3Q70_A_RITA2001_1
(CANDIDAPEPSIN-2)		 2bju PLASMEPSIN II
(Plasmodium
falciparum) 		6 / 12 ILE A  32
ASP A  34
GLY A  36
ASP A 214
THR A 217
ILE A 300
 IH4  A1330 (-4.1A)
IH4  A1330 (-4.2A)
IH4  A1330 ( 4.6A)
IH4  A1330 (-3.3A)
IH4  A1331 ( 4.1A)
IH4  A1330 (-4.5A)
 0.29A 3q70A-2bjuA:
11.4		 3q70A-2bjuA:
26.34
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.
3TNE_A_RITA401_1
(SECRETED ASPARTIC
PROTEASE)		 2bju PLASMEPSIN II
(Plasmodium
falciparum) 		5 / 12 ILE A  32
ASP A  34
GLY A  36
ASP A 214
ILE A 300
 IH4  A1330 (-4.1A)
IH4  A1330 (-4.2A)
IH4  A1330 ( 4.6A)
IH4  A1330 (-3.3A)
IH4  A1330 (-4.5A)
 0.28A 3tneA-2bjuA:
33.6		 3tneA-2bjuA:
23.54
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.
3TNE_A_RITA401_1
(SECRETED ASPARTIC
PROTEASE)		 2bju PLASMEPSIN II
(Plasmodium
falciparum) 		5 / 12 ILE A 212
ASP A 214
GLY A 216
ASP A  34
ILE A 123
 IH4  A1330 ( 4.0A)
IH4  A1330 (-3.3A)
IH4  A1330 ( 4.3A)
IH4  A1330 (-4.2A)
IH4  A1330 ( 4.4A)
 0.80A 3tneA-2bjuA:
33.6		 3tneA-2bjuA:
23.54
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.
3TNE_B_RITB401_1
(SECRETED ASPARTIC
PROTEASE)		 2bju PLASMEPSIN II
(Plasmodium
falciparum) 		5 / 12 ILE A  32
ASP A  34
GLY A  36
ASP A 214
ILE A 300
 IH4  A1330 (-4.1A)
IH4  A1330 (-4.2A)
IH4  A1330 ( 4.6A)
IH4  A1330 (-3.3A)
IH4  A1330 (-4.5A)
 0.31A 3tneB-2bjuA:
33.6		 3tneB-2bjuA:
23.54
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.
3TNE_B_RITB401_1
(SECRETED ASPARTIC
PROTEASE)		 2bju PLASMEPSIN II
(Plasmodium
falciparum) 		5 / 12 ILE A 212
ASP A 214
GLY A 216
ASP A  34
ILE A 123
 IH4  A1330 ( 4.0A)
IH4  A1330 (-3.3A)
IH4  A1330 ( 4.3A)
IH4  A1330 (-4.2A)
IH4  A1330 ( 4.4A)
 0.82A 3tneB-2bjuA:
33.6		 3tneB-2bjuA:
23.54
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.
4Q5M_A_ROCA1101_3
(PROTEASE)		 2bju PLASMEPSIN II
(Plasmodium
falciparum) 		3 / 3 ASP A 214
ASP A  34
ASN A  39
 IH4  A1330 (-3.3A)
IH4  A1330 (-4.2A)
None
 0.84A 4q5mA-2bjuA:
8.9		 4q5mA-2bjuA:
18.53