SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3qs1'

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.
1AV2_B_DVAB8_0
(GRAMICIDIN A)		 3qs1 PLASMEPSIN-1
(Plasmodium
falciparum) 		3 / 3 VAL A 214
VAL A 192
TRP A 190
 None
 0.82A 1av2A-3qs1A:
undetectable
1av2B-3qs1A:
undetectable		 1av2A-3qs1A:
12.82
1av2B-3qs1A:
12.82
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.
1Q23_A_FUAA702_1
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		 3qs1 PLASMEPSIN-1
(Plasmodium
falciparum) 		5 / 12 THR A 264
VAL A 214
PHE A 305
ALA A 210
ALA A 212
 None
 1.23A 1q23A-3qs1A:
undetectable
1q23B-3qs1A:
undetectable		 1q23A-3qs1A:
21.39
1q23B-3qs1A:
21.39
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.
2C8A_A_NCAA1252_0
(MONO-ADP-RIBOSYLTRAN
SFERASE C3)		 3qs1 PLASMEPSIN-1
(Plasmodium
falciparum) 		4 / 7 SER A  58
SER A  42
PHE A  83
GLN A  44
 None
 1.18A 2c8aA-3qs1A:
undetectable		 2c8aA-3qs1A:
21.93
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.
2IZQ_C_DVAC8_0
(GRAMICIDIN D)		 3qs1 PLASMEPSIN-1
(Plasmodium
falciparum) 		3 / 3 VAL A 192
TRP A 190
VAL A 214
 None
 0.80A 2izqC-3qs1A:
undetectable
2izqD-3qs1A:
undetectable		 2izqC-3qs1A:
12.82
2izqD-3qs1A:
12.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2V0Z_C_C41C1328_1
(RENIN)		 3qs1 PLASMEPSIN-1
(Plasmodium
falciparum) 		7 / 12 ASP A  32
GLY A  34
SER A  35
TYR A  75
ASP A 215
GLY A 217
SER A 219
 006  A 330 (-2.8A)
006  A 330 (-3.2A)
006  A 330 (-4.5A)
006  A 330 (-4.3A)
006  A 330 (-2.8A)
006  A 330 (-3.4A)
GOL  A 332 ( 2.5A)
 0.60A 2v0zC-3qs1A:
41.4		 2v0zC-3qs1A:
35.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2V0Z_O_C41O1327_1
(RENIN)		 3qs1 PLASMEPSIN-1
(Plasmodium
falciparum) 		6 / 12 ASP A  32
GLY A  34
ALA A 111
ASP A 215
GLY A 217
SER A 219
 006  A 330 (-2.8A)
006  A 330 (-3.2A)
None
006  A 330 (-2.8A)
006  A 330 (-3.4A)
GOL  A 332 ( 2.5A)
 0.78A 2v0zO-3qs1A:
41.0		 2v0zO-3qs1A:
35.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2V0Z_O_C41O1327_2
(RENIN)		 3qs1 PLASMEPSIN-1
(Plasmodium
falciparum) 		4 / 8 TYR A  15
SER A  35
TYR A  75
SER A  77
 None
006  A 330 (-4.5A)
006  A 330 (-4.3A)
006  A 330 (-2.1A)
 0.93A 2v0zO-3qs1A:
41.0		 2v0zO-3qs1A:
35.24
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.
3EM0_B_CHDB500_0
(ILEAL BILE
ACID-BINDING PROTEIN)		 3qs1 PLASMEPSIN-1
(Plasmodium
falciparum) 		4 / 7 THR A 166
VAL A 150
THR A 152
VAL A 312
 None
 0.67A 3em0B-3qs1A:
undetectable		 3em0B-3qs1A:
16.42
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.
3O94_A_NCAA192_0
(NICOTINAMIDASE)		 3qs1 PLASMEPSIN-1
(Plasmodium
falciparum) 		5 / 11 PHE A  29
LEU A  38
PHE A 101
TYR A  56
ILE A  20
 None
 1.44A 3o94A-3qs1A:
undetectable		 3o94A-3qs1A:
19.29
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.
3O94_C_NCAC192_0
(NICOTINAMIDASE)		 3qs1 PLASMEPSIN-1
(Plasmodium
falciparum) 		5 / 11 PHE A  29
LEU A  38
PHE A 101
TYR A  56
ILE A  20
 None
 1.44A 3o94C-3qs1A:
undetectable		 3o94C-3qs1A:
19.29
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.
3O94_D_NCAD192_0
(NICOTINAMIDASE)		 3qs1 PLASMEPSIN-1
(Plasmodium
falciparum) 		5 / 11 PHE A  29
LEU A  38
PHE A 101
TYR A  56
ILE A  20
 None
 1.43A 3o94D-3qs1A:
undetectable		 3o94D-3qs1A:
19.29
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)		 3qs1 PLASMEPSIN-1
(Plasmodium
falciparum) 		5 / 12 ASP A  32
GLY A  34
ASP A 215
THR A 218
ILE A 300
 006  A 330 (-2.8A)
006  A 330 (-3.2A)
006  A 330 (-2.8A)
006  A 330 (-3.5A)
None
 0.30A 3prsA-3qs1A:
36.0		 3prsA-3qs1A:
25.21
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)		 3qs1 PLASMEPSIN-1
(Plasmodium
falciparum) 		5 / 12 ASP A  32
PHE A 109
ILE A 213
THR A 218
ILE A 300
 006  A 330 (-2.8A)
None
None
006  A 330 (-3.5A)
None
 0.75A 3pwwA-3qs1A:
35.9		 3pwwA-3qs1A:
25.21
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_2
(ENDOTHIAPEPSIN)		 3qs1 PLASMEPSIN-1
(Plasmodium
falciparum) 		4 / 8 GLY A  34
SER A  35
TYR A  75
ASP A 215
 006  A 330 (-3.2A)
006  A 330 (-4.5A)
006  A 330 (-4.3A)
006  A 330 (-2.8A)
 0.45A 3pwwA-3qs1A:
35.9		 3pwwA-3qs1A:
25.21
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)		 3qs1 PLASMEPSIN-1
(Plasmodium
falciparum) 		6 / 12 ILE A  30
ASP A  32
GLY A  34
ASP A 215
THR A 218
ILE A 300
 006  A 330 ( 4.4A)
006  A 330 (-2.8A)
006  A 330 (-3.2A)
006  A 330 (-2.8A)
006  A 330 (-3.5A)
None
 0.32A 3q70A-3qs1A:
9.9		 3q70A-3qs1A:
28.53
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.
3SUD_D_SUED1201_2
(NS3 PROTEASE, NS4A
PROTEIN)		 3qs1 PLASMEPSIN-1
(Plasmodium
falciparum) 		4 / 5 PHE A 174
LEU A 324
LYS A 326
ARG A 307
 None
 1.42A 3sudD-3qs1A:
1.3		 3sudD-3qs1A:
21.05
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)		 3qs1 PLASMEPSIN-1
(Plasmodium
falciparum) 		5 / 12 ILE A  30
ASP A  32
GLY A  34
ASP A 215
ILE A 300
 006  A 330 ( 4.4A)
006  A 330 (-2.8A)
006  A 330 (-3.2A)
006  A 330 (-2.8A)
None
 0.37A 3tneA-3qs1A:
34.9		 3tneA-3qs1A:
28.37
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)		 3qs1 PLASMEPSIN-1
(Plasmodium
falciparum) 		5 / 12 ILE A 213
ASP A 215
GLY A 217
ASP A  32
ILE A 120
 None
006  A 330 (-2.8A)
006  A 330 (-3.4A)
006  A 330 (-2.8A)
006  A 330 ( 4.8A)
 0.78A 3tneA-3qs1A:
34.9		 3tneA-3qs1A:
28.37
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)		 3qs1 PLASMEPSIN-1
(Plasmodium
falciparum) 		5 / 12 ILE A  30
ASP A  32
GLY A  34
ASP A 215
ILE A 300
 006  A 330 ( 4.4A)
006  A 330 (-2.8A)
006  A 330 (-3.2A)
006  A 330 (-2.8A)
None
 0.36A 3tneB-3qs1A:
35.0		 3tneB-3qs1A:
28.37
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)		 3qs1 PLASMEPSIN-1
(Plasmodium
falciparum) 		5 / 12 ILE A 213
ASP A 215
GLY A 217
ASP A  32
ILE A 120
 None
006  A 330 (-2.8A)
006  A 330 (-3.4A)
006  A 330 (-2.8A)
006  A 330 ( 4.8A)
 0.81A 3tneB-3qs1A:
35.0		 3tneB-3qs1A:
28.37
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_2
(SECRETED ASPARTIC
PROTEASE)		 3qs1 PLASMEPSIN-1
(Plasmodium
falciparum) 		4 / 7 SER A  35
TYR A  75
ILE A 120
THR A 218
 006  A 330 (-4.5A)
006  A 330 (-4.3A)
006  A 330 ( 4.8A)
006  A 330 (-3.5A)
 0.72A 3tneB-3qs1A:
35.0		 3tneB-3qs1A:
28.37
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.
4OLA_A_IPHA901_0
(PROTEIN ARGONAUTE-2)		 3qs1 PLASMEPSIN-1
(Plasmodium
falciparum) 		4 / 5 LYS A 308
LEU A 269
GLU A 270
TYR A 273
 None
 1.48A 4olaA-3qs1A:
undetectable		 4olaA-3qs1A:
17.68
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.
4OLB_A_TRPA902_0
(PROTEIN ARGONAUTE-2)		 3qs1 PLASMEPSIN-1
(Plasmodium
falciparum) 		4 / 5 LYS A 308
LEU A 269
GLU A 270
TYR A 273
 None
 1.47A 4olbA-3qs1A:
undetectable		 4olbA-3qs1A:
17.68
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.
4OLB_A_TRPA902_0
(PROTEIN ARGONAUTE-2)		 3qs1 PLASMEPSIN-1
(Plasmodium
falciparum) 		4 / 5 TYR A 309
LYS A 308
GLU A 270
TYR A 273
 None
 1.33A 4olbA-3qs1A:
undetectable		 4olbA-3qs1A:
17.68
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)		 3qs1 PLASMEPSIN-1
(Plasmodium
falciparum) 		3 / 3 ASP A 215
ASP A  32
ASN A  37
 006  A 330 (-2.8A)
006  A 330 (-2.8A)
None
 0.71A 4q5mA-3qs1A:
10.0		 4q5mA-3qs1A:
22.29
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.
5ENT_C_MIYC901_1
(MULTIDRUG EFFLUX
PUMP SUBUNIT
ACRB,MULTIDRUG
EFFLUX PUMP SUBUNIT
ACRB)		 3qs1 PLASMEPSIN-1
(Plasmodium
falciparum) 		5 / 9 SER A  77
GLY A 302
SER A 220
ILE A 213
ALA A 212
 006  A 330 (-2.1A)
None
GOL  A 332 (-3.7A)
None
None
 1.39A 5entC-3qs1A:
undetectable		 5entC-3qs1A:
19.39