SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'OPE'


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.
1MCN_P_DHIP1_0
(IMMUNOGLOBULIN
LAMBDA DIMER MCG
(LIGHT CHAIN)
PEPTIDE
N-ACETYL-D-HIS-L-PRO
-NH2)		 4ine PROTEIN PMT-2
(Caenorhabditis
elegans) 		3 / 3 PHE A 199
TYR A 329
PRO A 206
 None
OPE  A 502 (-4.5A)
None
 1.17A 1mcnA-4ineA:
undetectable
1mcnB-4ineA:
undetectable
1mcnP-4ineA:
undetectable		 1mcnA-4ineA:
18.46
1mcnB-4ineA:
18.46
1mcnP-4ineA:
0.44
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.
2A3C_A_PNXA1435_1
(CHITINASE)		 4krg PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
1
(Haemonchus
contortus) 		4 / 6 TRP A 123
TYR A 127
PHE A 120
ARG A  64
 OPE  A 501 ( 3.8A)
SAH  A 502 (-4.9A)
None
SAH  A 502 (-3.9A)
 1.39A 2a3cA-4krgA:
undetectable		 2a3cA-4krgA:
23.18
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.
2HA4_A_ACHA546_0
(ACETYLCHOLINESTERASE)		 4ine PROTEIN PMT-2
(Caenorhabditis
elegans) 		4 / 8 TYR A 195
TYR A 418
PHE A 340
HIS A 424
 OPE  A 502 (-3.9A)
None
None
None
 1.03A 2ha4A-4ineA:
undetectable		 2ha4A-4ineA:
21.21
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.
2W98_A_P1ZA1352_1
(PROSTAGLANDIN
REDUCTASE 2)		 4krg PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
1
(Haemonchus
contortus) 		4 / 7 TYR A 127
LEU A  28
ASN A  29
TYR A 180
 SAH  A 502 (-4.9A)
OPE  A 501 ( 4.1A)
None
OPE  A 501 (-4.5A)
 1.37A 2w98A-4krgA:
6.9
2w98B-4krgA:
6.8		 2w98A-4krgA:
22.29
2w98B-4krgA:
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.
2WB9_A_CYSA301_0
(GLUTATHIONE
TRANSFERASE SIGMA
CLASS)		 4ine PROTEIN PMT-2
(Caenorhabditis
elegans) 		4 / 5 TYR A 187
ARG A 347
TYR A 349
TYR A 329
 SAH  A 501 ( 4.1A)
OPE  A 502 (-3.9A)
OPE  A 502 (-4.7A)
OPE  A 502 (-4.5A)
 1.48A 2wb9A-4ineA:
undetectable		 2wb9A-4ineA:
16.23
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
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.
4DF3_A_SAMA301_1
(FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE)		 3flt SAP-LIKE PENTRAXIN
(Limulus
polyphemus) 		3 / 3 TYR A  49
THR A  47
GLU A 154
 OPE  A 400 (-4.6A)
None
CA  A 303 (-2.7A)
 0.77A 4df3A-3fltA:
undetectable		 4df3A-3fltA:
18.93
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.
4DF3_B_SAMB301_1
(FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE)		 3flt SAP-LIKE PENTRAXIN
(Limulus
polyphemus) 		3 / 3 TYR A  49
THR A  47
GLU A 154
 OPE  A 400 (-4.6A)
None
CA  A 303 (-2.7A)
 0.74A 4df3B-3fltA:
undetectable		 4df3B-3fltA:
18.93
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.
4FGZ_A_CQAA302_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE)		 4ine PROTEIN PMT-2
(Caenorhabditis
elegans) 		4 / 7 TYR A 343
ARG A 347
GLY A 411
LYS A 415
 OPE  A 502 (-4.6A)
OPE  A 502 (-3.9A)
None
OPE  A 502 (-2.7A)
 0.52A 4fgzA-4ineA:
38.6		 4fgzA-4ineA:
23.63
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.
4FGZ_B_CQAB302_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE)		 4ine PROTEIN PMT-2
(Caenorhabditis
elegans) 		4 / 8 TYR A 343
ARG A 347
GLY A 411
LYS A 415
 OPE  A 502 (-4.6A)
OPE  A 502 (-3.9A)
None
OPE  A 502 (-2.7A)
 0.56A 4fgzA-4ineA:
38.6
4fgzB-4ineA:
38.6		 4fgzA-4ineA:
23.63
4fgzB-4ineA:
23.63
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.
4KN0_A_MTXA301_1
(FOLATE RECEPTOR BETA)		 4ine PROTEIN PMT-2
(Caenorhabditis
elegans) 		5 / 12 TYR A 187
TYR A 195
GLN A 346
ARG A 347
SER A 407
 SAH  A 501 ( 4.1A)
OPE  A 502 (-3.9A)
None
OPE  A 502 (-3.9A)
None
 1.36A 4kn0A-4ineA:
0.0		 4kn0A-4ineA:
17.82
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.
5JSD_A_1GNA615_1
(PHIAB6 TAILSPIKE)		 4ine PROTEIN PMT-2
(Caenorhabditis
elegans) 		3 / 3 TYR A 349
TYR A 195
GLN A 186
 OPE  A 502 (-4.7A)
OPE  A 502 (-3.9A)
OPE  A 502 (-4.0A)
 0.88A 5jsdA-4ineA:
undetectable
5jsdB-4ineA:
undetectable		 5jsdA-4ineA:
22.22
5jsdB-4ineA:
22.22
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.
5JSD_B_1GNB606_1
(PHIAB6 TAILSPIKE)		 4ine PROTEIN PMT-2
(Caenorhabditis
elegans) 		3 / 3 TYR A 349
TYR A 195
GLN A 186
 OPE  A 502 (-4.7A)
OPE  A 502 (-3.9A)
OPE  A 502 (-4.0A)
 0.88A 5jsdB-4ineA:
undetectable
5jsdC-4ineA:
undetectable		 5jsdB-4ineA:
22.22
5jsdC-4ineA:
22.22