SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'CAD'


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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1A8U_A_BEZA295_0
(CHLOROPEROXIDASE T)		 4uhh ESTERASE
(Thermogutta
terrifontis) 		5 / 10 GLY A  34
PHE A  35
SER A 101
MET A 102
HIS A 250
 None
None
CAD  A1275 (-3.6A)
None
None
 0.72A 1a8uA-4uhhA:
32.4		 1a8uA-4uhhA:
30.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1A8U_B_BEZB294_0
(CHLOROPEROXIDASE T)		 4uhh ESTERASE
(Thermogutta
terrifontis) 		5 / 10 GLY A  34
PHE A  35
SER A 101
MET A 102
HIS A 250
 None
None
CAD  A1275 (-3.6A)
None
None
 0.72A 1a8uB-4uhhA:
32.3		 1a8uB-4uhhA:
30.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2WT9_A_NIOA1216_1
(NICOTINAMIDASE)		 3s2s PUTATIVE
PYRAZINAMIDASE/NICOT
INAMIDASE
(Streptococcus
mutans) 		5 / 10 ASP A   9
ASP A  53
HIS A  55
TYR A 106
CYH A 136
 CAD  A 185 (-3.7A)
ZN  A 184 (-2.6A)
ZN  A 184 (-3.3A)
None
CAD  A 185 (-2.2A)
 1.12A 2wt9A-3s2sA:
22.2		 2wt9A-3s2sA:
32.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2WT9_A_NIOA1216_1
(NICOTINAMIDASE)		 3s2s PUTATIVE
PYRAZINAMIDASE/NICOT
INAMIDASE
(Streptococcus
mutans) 		7 / 10 ASP A   9
PHE A  14
LEU A  21
ASP A  53
HIS A  71
TYR A 106
CYH A 136
 CAD  A 185 (-3.7A)
CAD  A 185 (-3.3A)
None
ZN  A 184 (-2.6A)
ZN  A 184 (-3.4A)
None
CAD  A 185 (-2.2A)
 0.38A 2wt9A-3s2sA:
22.2		 2wt9A-3s2sA:
32.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2WT9_A_NIOA1216_1
(NICOTINAMIDASE)		 3s2s PUTATIVE
PYRAZINAMIDASE/NICOT
INAMIDASE
(Streptococcus
mutans) 		5 / 10 PHE A  14
LEU A  21
ASP A   9
TYR A 106
CYH A 136
 CAD  A 185 (-3.3A)
None
CAD  A 185 (-3.7A)
None
CAD  A 185 (-2.2A)
 1.30A 2wt9A-3s2sA:
22.2		 2wt9A-3s2sA:
32.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2WT9_B_NIOB1216_1
(NICOTINAMIDASE)		 3s2s PUTATIVE
PYRAZINAMIDASE/NICOT
INAMIDASE
(Streptococcus
mutans) 		6 / 9 ASP A   9
PHE A  14
LEU A  21
ASP A  53
HIS A  71
CYH A 136
 CAD  A 185 (-3.7A)
CAD  A 185 (-3.3A)
None
ZN  A 184 (-2.6A)
ZN  A 184 (-3.4A)
CAD  A 185 (-2.2A)
 0.34A 2wt9B-3s2sA:
22.1		 2wt9B-3s2sA:
32.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3O94_A_NCAA192_0
(NICOTINAMIDASE)		 3s2s PUTATIVE
PYRAZINAMIDASE/NICOT
INAMIDASE
(Streptococcus
mutans) 		5 / 11 ASP A   9
ASP A  53
GLU A  64
HIS A  55
TYR A 106
 CAD  A 185 (-3.7A)
ZN  A 184 (-2.6A)
ZN  A 184 (-2.5A)
ZN  A 184 (-3.3A)
None
 1.31A 3o94A-3s2sA:
35.9		 3o94A-3s2sA:
71.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3O94_A_NCAA192_0
(NICOTINAMIDASE)		 3s2s PUTATIVE
PYRAZINAMIDASE/NICOT
INAMIDASE
(Streptococcus
mutans) 		10 / 11 ASP A   9
PHE A  14
LEU A  21
ASP A  53
GLU A  64
PHE A  68
HIS A  71
TYR A 106
LEU A 132
ILE A 135
 CAD  A 185 (-3.7A)
CAD  A 185 (-3.3A)
None
ZN  A 184 (-2.6A)
ZN  A 184 (-2.5A)
None
ZN  A 184 (-3.4A)
None
CAD  A 185 (-3.9A)
CAD  A 185 (-3.4A)
 0.35A 3o94A-3s2sA:
35.9		 3o94A-3s2sA:
71.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3O94_B_NCAB192_0
(NICOTINAMIDASE)		 3s2s PUTATIVE
PYRAZINAMIDASE/NICOT
INAMIDASE
(Streptococcus
mutans) 		5 / 11 ASP A   9
ASP A  53
GLU A  64
HIS A  55
TYR A 106
 CAD  A 185 (-3.7A)
ZN  A 184 (-2.6A)
ZN  A 184 (-2.5A)
ZN  A 184 (-3.3A)
None
 1.30A 3o94B-3s2sA:
35.8		 3o94B-3s2sA:
71.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3O94_B_NCAB192_0
(NICOTINAMIDASE)		 3s2s PUTATIVE
PYRAZINAMIDASE/NICOT
INAMIDASE
(Streptococcus
mutans) 		10 / 11 ASP A   9
PHE A  14
LEU A  21
ASP A  53
GLU A  64
PHE A  68
HIS A  71
TYR A 106
LEU A 132
ILE A 135
 CAD  A 185 (-3.7A)
CAD  A 185 (-3.3A)
None
ZN  A 184 (-2.6A)
ZN  A 184 (-2.5A)
None
ZN  A 184 (-3.4A)
None
CAD  A 185 (-3.9A)
CAD  A 185 (-3.4A)
 0.29A 3o94B-3s2sA:
35.8		 3o94B-3s2sA:
71.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3O94_C_NCAC192_0
(NICOTINAMIDASE)		 3s2s PUTATIVE
PYRAZINAMIDASE/NICOT
INAMIDASE
(Streptococcus
mutans) 		5 / 11 ASP A   9
ASP A  53
GLU A  64
HIS A  55
TYR A 106
 CAD  A 185 (-3.7A)
ZN  A 184 (-2.6A)
ZN  A 184 (-2.5A)
ZN  A 184 (-3.3A)
None
 1.32A 3o94C-3s2sA:
35.7		 3o94C-3s2sA:
71.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3O94_C_NCAC192_0
(NICOTINAMIDASE)		 3s2s PUTATIVE
PYRAZINAMIDASE/NICOT
INAMIDASE
(Streptococcus
mutans) 		10 / 11 ASP A   9
PHE A  14
LEU A  21
ASP A  53
GLU A  64
PHE A  68
HIS A  71
TYR A 106
LEU A 132
ILE A 135
 CAD  A 185 (-3.7A)
CAD  A 185 (-3.3A)
None
ZN  A 184 (-2.6A)
ZN  A 184 (-2.5A)
None
ZN  A 184 (-3.4A)
None
CAD  A 185 (-3.9A)
CAD  A 185 (-3.4A)
 0.34A 3o94C-3s2sA:
35.7		 3o94C-3s2sA:
71.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3O94_D_NCAD192_0
(NICOTINAMIDASE)		 3s2s PUTATIVE
PYRAZINAMIDASE/NICOT
INAMIDASE
(Streptococcus
mutans) 		5 / 11 ASP A   9
ASP A  53
GLU A  64
HIS A  55
TYR A 106
 CAD  A 185 (-3.7A)
ZN  A 184 (-2.6A)
ZN  A 184 (-2.5A)
ZN  A 184 (-3.3A)
None
 1.31A 3o94D-3s2sA:
35.7		 3o94D-3s2sA:
71.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3O94_D_NCAD192_0
(NICOTINAMIDASE)		 3s2s PUTATIVE
PYRAZINAMIDASE/NICOT
INAMIDASE
(Streptococcus
mutans) 		10 / 11 ASP A   9
PHE A  14
LEU A  21
ASP A  53
GLU A  64
PHE A  68
HIS A  71
TYR A 106
LEU A 132
ILE A 135
 CAD  A 185 (-3.7A)
CAD  A 185 (-3.3A)
None
ZN  A 184 (-2.6A)
ZN  A 184 (-2.5A)
None
ZN  A 184 (-3.4A)
None
CAD  A 185 (-3.9A)
CAD  A 185 (-3.4A)
 0.34A 3o94D-3s2sA:
35.7		 3o94D-3s2sA:
71.11
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.
3R2J_A_NIOA311_1
(ALPHA/BETA-HYDROLASE
-LIKE PROTEIN)		 3s2s PUTATIVE
PYRAZINAMIDASE/NICOT
INAMIDASE
(Streptococcus
mutans) 		5 / 9 ASP A   9
LEU A  21
ASP A  53
HIS A  71
LYS A 103
 CAD  A 185 (-3.7A)
None
ZN  A 184 (-2.6A)
ZN  A 184 (-3.4A)
None
 0.49A 3r2jA-3s2sA:
23.0		 3r2jA-3s2sA:
28.33
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.
3R2J_B_NIOB311_1
(ALPHA/BETA-HYDROLASE
-LIKE PROTEIN)		 3s2s PUTATIVE
PYRAZINAMIDASE/NICOT
INAMIDASE
(Streptococcus
mutans) 		7 / 11 ASP A   9
PHE A  14
LEU A  21
ASP A  53
HIS A  71
LYS A 103
TYR A 106
 CAD  A 185 (-3.7A)
CAD  A 185 (-3.3A)
None
ZN  A 184 (-2.6A)
ZN  A 184 (-3.4A)
None
None
 0.51A 3r2jB-3s2sA:
22.6		 3r2jB-3s2sA:
28.33
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.
3R2J_C_NIOC311_1
(ALPHA/BETA-HYDROLASE
-LIKE PROTEIN)		 3s2s PUTATIVE
PYRAZINAMIDASE/NICOT
INAMIDASE
(Streptococcus
mutans) 		8 / 12 ASP A   9
PHE A  14
LEU A  21
ASP A  53
HIS A  55
HIS A  71
LYS A 103
TYR A 106
 CAD  A 185 (-3.7A)
CAD  A 185 (-3.3A)
None
ZN  A 184 (-2.6A)
ZN  A 184 (-3.3A)
ZN  A 184 (-3.4A)
None
None
 0.44A 3r2jC-3s2sA:
22.9		 3r2jC-3s2sA:
28.33
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.
3R2J_D_NIOD311_1
(ALPHA/BETA-HYDROLASE
-LIKE PROTEIN)		 3s2s PUTATIVE
PYRAZINAMIDASE/NICOT
INAMIDASE
(Streptococcus
mutans) 		7 / 11 ASP A   9
PHE A  14
LEU A  21
ASP A  53
HIS A  71
LYS A 103
TYR A 106
 CAD  A 185 (-3.7A)
CAD  A 185 (-3.3A)
None
ZN  A 184 (-2.6A)
ZN  A 184 (-3.4A)
None
None
 0.45A 3r2jD-3s2sA:
22.9		 3r2jD-3s2sA:
28.33
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.
3UVV_A_T3A501_1
(THYROID HORMONE
RECEPTOR ALPHA)		 4uhh ESTERASE
(Thermogutta
terrifontis) 		5 / 12 ILE A 224
LEU A 251
LEU A  37
ILE A 182
MET A 197
 CAD  A1275 (-4.3A)
None
None
None
CAD  A1275 ( 4.2A)
 0.78A 3uvvA-4uhhA:
undetectable		 3uvvA-4uhhA:
21.78