SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'CMC'


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.
2F6D_A_ACRA996_1
(GLUCOAMYLASE GLU1)		 2r26 CITRATE SYNTHASE
(Thermoplasma
acidophilum) 		5 / 7 HIS A 222
ASN A 315
ASP A 269
THR A 337
GLY A 223
 CMC  A 701 ( 3.7A)
CMC  A 701 (-3.0A)
None
None
CMC  A 701 (-3.5A)
 1.30A 2f6dA-2r26A:
undetectable		 2f6dA-2r26A:
19.96
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.
3TKA_A_SAMA400_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE H)		 2r26 CITRATE SYNTHASE
(Thermoplasma
acidophilum) 		5 / 12 THR A 316
GLY A 259
GLY A 261
HIS A 262
PHE A 275
 OAA  A 501 ( 4.9A)
CMC  A 701 (-3.3A)
CMC  A 701 (-3.2A)
OAA  A 501 ( 4.0A)
None
 1.04A 3tkaA-2r26A:
undetectable		 3tkaA-2r26A:
21.45
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.
3UA1_A_08YA600_1
(CYTOCHROME P450 3A4)		 2r26 CITRATE SYNTHASE
(Thermoplasma
acidophilum) 		5 / 12 ASP A 317
ILE A 327
THR A 316
PHE A 160
ALA A  95
 CMC  A 701 (-2.7A)
None
OAA  A 501 ( 4.9A)
None
None
 1.30A 3ua1A-2r26A:
undetectable		 3ua1A-2r26A:
22.80
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.
4IQQ_A_D16A402_1
(THYMIDYLATE SYNTHASE)		 2r26 CITRATE SYNTHASE
(Thermoplasma
acidophilum) 		4 / 7 ILE A 251
ASP A 301
GLY A 303
PHE A 307
 None
None
None
CMC  A 701 ( 4.3A)
 0.93A 4iqqA-2r26A:
undetectable		 4iqqA-2r26A:
20.43
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.
4IQQ_A_D16A402_1
(THYMIDYLATE SYNTHASE)		 2r26 CITRATE SYNTHASE
(Thermoplasma
acidophilum) 		4 / 7 TYR A 313
ASP A 317
GLY A 259
PHE A 260
 None
CMC  A 701 (-2.7A)
CMC  A 701 (-3.3A)
None
 0.82A 4iqqA-2r26A:
undetectable		 4iqqA-2r26A:
20.43
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.
4IQQ_B_D16B402_1
(THYMIDYLATE SYNTHASE)		 2r26 CITRATE SYNTHASE
(Thermoplasma
acidophilum) 		4 / 7 TYR A 313
ASP A 317
GLY A 259
PHE A 260
 None
CMC  A 701 (-2.7A)
CMC  A 701 (-3.3A)
None
 0.81A 4iqqB-2r26A:
undetectable		 4iqqB-2r26A:
20.43
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.
4IQQ_D_D16D402_1
(THYMIDYLATE SYNTHASE)		 2r26 CITRATE SYNTHASE
(Thermoplasma
acidophilum) 		4 / 8 ILE A 251
ASP A 301
GLY A 303
PHE A 307
 None
None
None
CMC  A 701 ( 4.3A)
 0.85A 4iqqD-2r26A:
undetectable		 4iqqD-2r26A:
20.43
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.
4IQQ_D_D16D402_1
(THYMIDYLATE SYNTHASE)		 2r26 CITRATE SYNTHASE
(Thermoplasma
acidophilum) 		4 / 8 TYR A 313
ASP A 317
GLY A 259
PHE A 260
 None
CMC  A 701 (-2.7A)
CMC  A 701 (-3.3A)
None
 0.82A 4iqqD-2r26A:
undetectable		 4iqqD-2r26A:
20.43
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.
5NOO_C_D16C402_1
(THYMIDYLATE SYNTHASE)		 2r26 CITRATE SYNTHASE
(Thermoplasma
acidophilum) 		4 / 6 TYR A 313
ASP A 317
GLY A 259
PHE A 260
 None
CMC  A 701 (-2.7A)
CMC  A 701 (-3.3A)
None
 0.86A 5nooC-2r26A:
undetectable		 5nooC-2r26A:
20.43
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.
5NOO_D_D16D402_1
(THYMIDYLATE SYNTHASE)		 2r26 CITRATE SYNTHASE
(Thermoplasma
acidophilum) 		4 / 8 ILE A 251
ASP A 301
GLY A 303
PHE A 307
 None
None
None
CMC  A 701 ( 4.3A)
 0.87A 5nooD-2r26A:
undetectable		 5nooD-2r26A:
20.43
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.
5NOO_D_D16D402_1
(THYMIDYLATE SYNTHASE)		 2r26 CITRATE SYNTHASE
(Thermoplasma
acidophilum) 		4 / 8 TYR A 313
ASP A 317
GLY A 259
PHE A 260
 None
CMC  A 701 (-2.7A)
CMC  A 701 (-3.3A)
None
 0.85A 5nooD-2r26A:
undetectable		 5nooD-2r26A:
20.43
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.
5VCG_A_08YA602_1
(CYTOCHROME P450 3A4)		 2r26 CITRATE SYNTHASE
(Thermoplasma
acidophilum) 		5 / 12 ASP A 317
ILE A 327
THR A 316
PHE A 160
ALA A  95
 CMC  A 701 (-2.7A)
None
OAA  A 501 ( 4.9A)
None
None
 1.29A 5vcgA-2r26A:
0.0		 5vcgA-2r26A:
22.80
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.
6HXI_D_ACTD703_0
(SUCCINYL-COA LIGASE
(ADP-FORMING)
SUBUNIT ALPHA)		 2r26 CITRATE SYNTHASE
(Thermoplasma
acidophilum) 		5 / 5 HIS A 187
ARG A 271
ASP A 317
PHE A 340
ARG A 344
 OAA  A 501 (-3.8A)
OAA  A 501 (-3.1A)
CMC  A 701 (-2.7A)
OAA  A 501 ( 4.6A)
OAA  A 501 (-2.7A)
 0.70A 6hxiD-2r26A:
16.8		 6hxiD-2r26A:
21.56