SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3CD'


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.
2CIZ_A_ACTA1321_0
(CHLOROPEROXIDASE)		 2xf8 D-ERYTHROSE-4-PHOSPH
ATE DEHYDROGENASE
(Escherichia
coli) 		4 / 5 LEU A 117
ASN A 146
PHE A 317
VAL A  15
 None
None
3CD  A 600 (-3.7A)
None
 1.20A 2cizA-2xf8A:
undetectable		 2cizA-2xf8A:
21.83
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.
3G1U_B_ADNB438_1
(ADENOSYLHOMOCYSTEINA
SE)		 2xf8 D-ERYTHROSE-4-PHOSPH
ATE DEHYDROGENASE
(Escherichia
coli) 		5 / 12 HIS A 108
ASP A  94
THR A  96
LEU A  79
LEU A  82
 None
None
3CD  A 600 ( 4.8A)
None
None
 1.28A 3g1uB-2xf8A:
5.2		 3g1uB-2xf8A:
20.71
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.
3G1U_D_ADND438_1
(ADENOSYLHOMOCYSTEINA
SE)		 2xf8 D-ERYTHROSE-4-PHOSPH
ATE DEHYDROGENASE
(Escherichia
coli) 		5 / 12 HIS A 108
ASP A  94
THR A  96
LEU A  79
LEU A  82
 None
None
3CD  A 600 ( 4.8A)
None
None
 1.25A 3g1uD-2xf8A:
5.2		 3g1uD-2xf8A:
20.71
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.
3N58_C_ADNC500_1
(ADENOSYLHOMOCYSTEINA
SE)		 2xf8 D-ERYTHROSE-4-PHOSPH
ATE DEHYDROGENASE
(Escherichia
coli) 		5 / 12 HIS A 108
ASP A  94
THR A  96
LEU A  79
LEU A  82
 None
None
3CD  A 600 ( 4.8A)
None
None
 1.27A 3n58C-2xf8A:
4.8		 3n58C-2xf8A:
23.27
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.
3N58_D_ADND500_1
(ADENOSYLHOMOCYSTEINA
SE)		 2xf8 D-ERYTHROSE-4-PHOSPH
ATE DEHYDROGENASE
(Escherichia
coli) 		5 / 12 HIS A 108
ASP A  94
THR A  96
LEU A  79
LEU A  82
 None
None
3CD  A 600 ( 4.8A)
None
None
 1.25A 3n58D-2xf8A:
4.6		 3n58D-2xf8A:
23.27
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.
3W9T_C_W9TC1005_1
(HEMOLYTIC LECTIN
CEL-III)		 2xf8 D-ERYTHROSE-4-PHOSPH
ATE DEHYDROGENASE
(Escherichia
coli) 		3 / 3 ASP A  94
GLY A   7
TYR A  99
 None
3CD  A 600 (-3.5A)
3CD  A 600 (-4.9A)
 0.78A 3w9tC-2xf8A:
undetectable		 3w9tC-2xf8A:
22.02
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.
3W9T_G_W9TG503_1
(HEMOLYTIC LECTIN
CEL-III)		 2xf8 D-ERYTHROSE-4-PHOSPH
ATE DEHYDROGENASE
(Escherichia
coli) 		3 / 3 ASP A  94
GLY A   7
TYR A  99
 None
3CD  A 600 (-3.5A)
3CD  A 600 (-4.9A)
 0.78A 3w9tG-2xf8A:
undetectable		 3w9tG-2xf8A:
22.02
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.
4FOG_A_C2FA302_0
(THYMIDYLATE SYNTHASE)		 2xf8 D-ERYTHROSE-4-PHOSPH
ATE DEHYDROGENASE
(Escherichia
coli) 		5 / 11 SER A 119
ILE A  11
ASP A 312
GLY A 316
PHE A 317
 3CD  A 600 (-3.4A)
3CD  A 600 (-4.2A)
None
None
3CD  A 600 (-3.7A)
 1.27A 4fogA-2xf8A:
undetectable		 4fogA-2xf8A:
22.57
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.
4FOG_C_C2FC302_0
(THYMIDYLATE SYNTHASE)		 2xf8 D-ERYTHROSE-4-PHOSPH
ATE DEHYDROGENASE
(Escherichia
coli) 		5 / 11 SER A 119
ILE A  11
ASP A 312
GLY A 316
PHE A 317
 3CD  A 600 (-3.4A)
3CD  A 600 (-4.2A)
None
None
3CD  A 600 (-3.7A)
 1.25A 4fogC-2xf8A:
undetectable		 4fogC-2xf8A:
22.57
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.
4FOX_D_D16D301_1
(THYMIDYLATE SYNTHASE)		 2xf8 D-ERYTHROSE-4-PHOSPH
ATE DEHYDROGENASE
(Escherichia
coli) 		5 / 12 SER A 119
ILE A  11
ASP A 312
GLY A 316
PHE A 317
 3CD  A 600 (-3.4A)
3CD  A 600 (-4.2A)
None
None
3CD  A 600 (-3.7A)
 1.24A 4foxD-2xf8A:
undetectable		 4foxD-2xf8A:
22.57
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.
4FOX_E_D16E301_1
(THYMIDYLATE SYNTHASE)		 2xf8 D-ERYTHROSE-4-PHOSPH
ATE DEHYDROGENASE
(Escherichia
coli) 		5 / 12 SER A 119
ILE A  11
ASP A 312
GLY A 316
PHE A 317
 3CD  A 600 (-3.4A)
3CD  A 600 (-4.2A)
None
None
3CD  A 600 (-3.7A)
 1.28A 4foxE-2xf8A:
undetectable		 4foxE-2xf8A:
22.57
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.
4FOX_H_D16H301_1
(THYMIDYLATE SYNTHASE)		 2xf8 D-ERYTHROSE-4-PHOSPH
ATE DEHYDROGENASE
(Escherichia
coli) 		5 / 11 SER A 119
ILE A  11
ASP A 312
GLY A 316
PHE A 317
 3CD  A 600 (-3.4A)
3CD  A 600 (-4.2A)
None
None
3CD  A 600 (-3.7A)
 1.25A 4foxH-2xf8A:
undetectable		 4foxH-2xf8A:
22.57
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.
5C8T_B_SAMB605_0
(GUANINE-N7
METHYLTRANSFERASE)		 2xf8 D-ERYTHROSE-4-PHOSPH
ATE DEHYDROGENASE
(Escherichia
coli) 		5 / 11 GLY A  12
ALA A 318
PHE A 317
ASN A   6
CYH A  95
 None
None
3CD  A 600 (-3.7A)
3CD  A 600 ( 4.3A)
None
 1.17A 5c8tB-2xf8A:
2.1		 5c8tB-2xf8A:
20.68
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.
5XDH_A_DAHA60_1
(PUTATIVE CYTOCHROME
C)		 2xf8 D-ERYTHROSE-4-PHOSPH
ATE DEHYDROGENASE
(Escherichia
coli) 		4 / 6 HIS A 120
ASN A   6
VAL A 116
LEU A 124
 3CD  A 600 (-4.1A)
3CD  A 600 ( 4.3A)
None
None
 1.47A 5xdhA-2xf8A:
undetectable
5xdhC-2xf8A:
undetectable		 5xdhA-2xf8A:
13.77
5xdhC-2xf8A:
13.77
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.
5XDH_D_DAHD60_1
(PUTATIVE CYTOCHROME
C)		 2xf8 D-ERYTHROSE-4-PHOSPH
ATE DEHYDROGENASE
(Escherichia
coli) 		4 / 5 HIS A 120
ASN A   6
VAL A 116
LEU A 124
 3CD  A 600 (-4.1A)
3CD  A 600 ( 4.3A)
None
None
 1.47A 5xdhD-2xf8A:
undetectable		 5xdhD-2xf8A:
13.77
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.
6AG0_A_ACRA605_0
(ALPHA-AMYLASE)		 2xf8 D-ERYTHROSE-4-PHOSPH
ATE DEHYDROGENASE
(Escherichia
coli) 		4 / 8 GLY A  12
ILE A  11
ASP A  47
HIS A  50
 None
3CD  A 600 (-4.2A)
None
None
 0.87A 6ag0A-2xf8A:
undetectable		 6ag0A-2xf8A:
17.56
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.
6AG0_C_ACRC605_0
(ALPHA-AMYLASE)		 2xf8 D-ERYTHROSE-4-PHOSPH
ATE DEHYDROGENASE
(Escherichia
coli) 		4 / 8 GLY A  12
ILE A  11
ASP A  47
HIS A  50
 None
3CD  A 600 (-4.2A)
None
None
 0.85A 6ag0C-2xf8A:
undetectable		 6ag0C-2xf8A:
17.56