SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3fi8'

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.
1JQD_A_HSMA600_1
(HISTAMINE
N-METHYLTRANSFERASE)		 3fi8 CHOLINE KINASE
(Plasmodium
falciparum) 		4 / 7 GLN A 290
TRP A 392
TRP A 395
ASN A 320
 OPE  A 603 (-2.6A)
OPE  A 603 ( 4.2A)
OPE  A 603 (-4.6A)
None
 1.34A 1jqdA-3fi8A:
undetectable		 1jqdA-3fi8A:
21.75
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.
1P2Y_A_NCTA440_1
(CYTOCHROME P450-CAM)		 3fi8 CHOLINE KINASE
(Plasmodium
falciparum) 		4 / 7 PHE A 120
GLY A 179
ASP A  83
ILE A  87
 None
 0.79A 1p2yA-3fi8A:
undetectable		 1p2yA-3fi8A:
20.05
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.
1YC2_A_NCAA506_0
(NAD-DEPENDENT
DEACETYLASE 2)		 3fi8 CHOLINE KINASE
(Plasmodium
falciparum) 		4 / 6 SER A 330
PHE A 409
ILE A 327
ASP A 328
 None
 1.03A 1yc2A-3fi8A:
undetectable		 1yc2A-3fi8A:
19.68
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.
2ACL_C_REAC503_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		 3fi8 CHOLINE KINASE
(Plasmodium
falciparum) 		5 / 10 ILE A 323
ALA A 319
ALA A 385
GLN A 384
ALA A 316
 OPE  A 442 ( 4.8A)
None
OPE  A 442 ( 4.0A)
None
None
 1.13A 2aclC-3fi8A:
undetectable		 2aclC-3fi8A:
18.75
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.
2IGT_A_SAMA1001_1
(SAM DEPENDENT
METHYLTRANSFERASE)		 3fi8 CHOLINE KINASE
(Plasmodium
falciparum) 		3 / 3 ASP A 195
ASP A 328
ASP A 189
 None
 0.76A 2igtA-3fi8A:
undetectable		 2igtA-3fi8A:
21.97
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.
2IGT_B_SAMB1002_1
(SAM DEPENDENT
METHYLTRANSFERASE)		 3fi8 CHOLINE KINASE
(Plasmodium
falciparum) 		3 / 3 ASP A 195
ASP A 328
ASP A 189
 None
 0.74A 2igtB-3fi8A:
undetectable		 2igtB-3fi8A:
21.97
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.
3E00_A_9CRA7223_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		 3fi8 CHOLINE KINASE
(Plasmodium
falciparum) 		5 / 12 ILE A 323
ALA A 319
ALA A 385
GLN A 384
ALA A 316
 OPE  A 442 ( 4.8A)
None
OPE  A 442 ( 4.0A)
None
None
 1.03A 3e00A-3fi8A:
undetectable		 3e00A-3fi8A:
21.12
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.
3J7Z_A_ERYA9000_0
(23S RRNA
50S RIBOSOMAL
PROTEIN L22
ERMCL NASCENT CHAIN)		 3fi8 CHOLINE KINASE
(Plasmodium
falciparum) 		3 / 3 LYS A 432
ILE A 318
PHE A 321
 None
 0.74A 3j7zS-3fi8A:
undetectable
3j7za-3fi8A:
undetectable		 3j7zS-3fi8A:
14.64
3j7za-3fi8A:
5.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3MES_A_DMEA427_1
(CHOLINE KINASE)		 3fi8 CHOLINE KINASE
(Plasmodium
falciparum) 		9 / 10 ASP A 288
GLN A 290
ASN A 292
GLU A 324
TYR A 329
TRP A 392
TRP A 395
PHE A 409
TYR A 414
 OPE  A 603 (-3.3A)
OPE  A 603 (-2.6A)
None
OPE  A 603 ( 4.7A)
OPE  A 603 (-4.4A)
OPE  A 603 ( 4.2A)
OPE  A 603 (-4.6A)
None
None
 0.63A 3mesA-3fi8A:
37.8		 3mesA-3fi8A:
36.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3MES_B_DMEB427_1
(CHOLINE KINASE)		 3fi8 CHOLINE KINASE
(Plasmodium
falciparum) 		9 / 10 ASP A 288
GLN A 290
ASN A 292
GLU A 324
TYR A 329
TRP A 392
TRP A 395
PHE A 409
TYR A 414
 OPE  A 603 (-3.3A)
OPE  A 603 (-2.6A)
None
OPE  A 603 ( 4.7A)
OPE  A 603 (-4.4A)
OPE  A 603 ( 4.2A)
OPE  A 603 (-4.6A)
None
None
 0.63A 3mesB-3fi8A:
37.9		 3mesB-3fi8A:
36.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3MES_B_DMEB427_1
(CHOLINE KINASE)		 3fi8 CHOLINE KINASE
(Plasmodium
falciparum) 		5 / 10 SER A 113
ASP A 288
TRP A 392
TRP A 395
PHE A 409
 ADP  A   1 (-4.5A)
OPE  A 603 (-3.3A)
OPE  A 603 ( 4.2A)
OPE  A 603 (-4.6A)
None
 1.32A 3mesB-3fi8A:
37.9		 3mesB-3fi8A:
36.05
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.
4ZDY_A_1YNA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 3fi8 CHOLINE KINASE
(Plasmodium
falciparum) 		6 / 12 GLY A 188
PHE A 353
ILE A 318
GLY A 210
LEU A 303
THR A 297
 None
 1.31A 4zdyA-3fi8A:
undetectable		 4zdyA-3fi8A:
19.20
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.
4ZE2_A_1YNA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 3fi8 CHOLINE KINASE
(Plasmodium
falciparum) 		5 / 12 GLY A 188
PHE A 353
ILE A 318
GLY A 210
LEU A 303
 None
 1.14A 4ze2A-3fi8A:
undetectable		 4ze2A-3fi8A:
19.20
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.
6E8Q_A_X2NA602_0
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 3fi8 CHOLINE KINASE
(Plasmodium
falciparum) 		5 / 12 GLY A 188
PHE A 353
ILE A 318
GLY A 210
LEU A 303
 None
 1.14A 6e8qA-3fi8A:
undetectable		 6e8qA-3fi8A:
12.91