SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'CAO'


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.
3PWR_A_ROCA401_2
(PROTEASE)		 1vgq FORMYL-COENZYME A
TRANSFERASE
(Oxalobacter
formigenes) 		3 / 3 ARG A  38
VAL A 427
THR A  76
 CAO  A 429 (-3.1A)
None
None
 0.80A 3pwrA-1vgqA:
undetectable		 3pwrA-1vgqA:
12.47
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.
4MJW_A_ACTA603_0
(CHOLINE OXIDASE)		 2jdc GLYPHOSATE
N-ACETYLTRANSFERASE
(Bacillus
licheniformis) 		3 / 3 ARG A 111
HIS A 138
SER A 113
 SO4  A1148 ( 3.9A)
SO4  A1148 (-3.9A)
CAO  A1147 (-4.2A)
 0.88A 4mjwA-2jdcA:
undetectable
4mjwB-2jdcA:
1.4		 4mjwA-2jdcA:
15.47
4mjwB-2jdcA:
15.47
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.
4MJW_B_ACTB603_0
(CHOLINE OXIDASE)		 2jdc GLYPHOSATE
N-ACETYLTRANSFERASE
(Bacillus
licheniformis) 		3 / 3 SER A 113
ARG A 111
HIS A 138
 CAO  A1147 (-4.2A)
SO4  A1148 ( 3.9A)
SO4  A1148 (-3.9A)
 0.88A 4mjwA-2jdcA:
undetectable
4mjwB-2jdcA:
1.3		 4mjwA-2jdcA:
15.47
4mjwB-2jdcA:
15.47
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.
4RJD_B_TFPB203_1
(CALMODULIN)		 1vgq FORMYL-COENZYME A
TRANSFERASE
(Oxalobacter
formigenes) 		4 / 7 LEU A  83
MET A  74
MET A  86
ALA A  90
 None
CAO  A 429 (-4.5A)
None
None
 1.01A 4rjdB-1vgqA:
undetectable		 4rjdB-1vgqA:
7.73
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.
5U4S_B_BEZB301_0
(PUTATIVE SHORT CHAIN
DEHYDROGENASE)		 1vgq FORMYL-COENZYME A
TRANSFERASE
(Oxalobacter
formigenes) 		4 / 8 ILE A  87
LEU A  83
MET A  74
LEU A  72
 None
None
CAO  A 429 (-4.5A)
None
 1.06A 5u4sB-1vgqA:
6.2		 5u4sB-1vgqA:
20.18
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.
5V5Z_A_1YNA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 1vgq FORMYL-COENZYME A
TRANSFERASE
(Oxalobacter
formigenes) 		5 / 12 ILE A  70
PHE A  97
GLY A  79
THR A  76
MET A 105
 None
CAO  A 429 (-3.8A)
None
None
CAO  A 429 (-3.7A)
 1.11A 5v5zA-1vgqA:
0.0		 5v5zA-1vgqA:
20.50
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.
5VC0_A_RITA602_1
(CYTOCHROME P450 3A4)		 2jdc GLYPHOSATE
N-ACETYLTRANSFERASE
(Bacillus
licheniformis) 		5 / 12 PHE A 123
LEU A  98
PHE A  56
ILE A  53
ALA A  76
 None
None
None
None
CAO  A1147 (-4.1A)
 1.15A 5vc0A-2jdcA:
undetectable		 5vc0A-2jdcA:
15.24
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.
6C2M_B_SUEB1202_0
(NS3 PROTEASE)		 1vgq FORMYL-COENZYME A
TRANSFERASE
(Oxalobacter
formigenes) 		5 / 12 GLY A  42
VAL A  16
GLY A 402
SER A  69
ALA A 398
 None
CAO  A 429 (-4.1A)
None
None
None
 1.11A 6c2mB-1vgqA:
undetectable		 6c2mB-1vgqA:
14.13
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.
6C2M_B_SUEB1202_0
(NS3 PROTEASE)		 1vgq FORMYL-COENZYME A
TRANSFERASE
(Oxalobacter
formigenes) 		5 / 12 GLY A  42
VAL A  16
ILE A 375
SER A  69
ALA A 398
 None
CAO  A 429 (-4.1A)
None
None
None
 1.04A 6c2mB-1vgqA:
undetectable		 6c2mB-1vgqA:
14.13
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.
6GBN_B_ADNB501_1
(-)		 2jdc GLYPHOSATE
N-ACETYLTRANSFERASE
(Bacillus
licheniformis) 		5 / 12 LEU A 106
GLU A  95
LEU A  42
GLY A  87
PHE A 123
 None
None
None
CAO  A1147 (-3.6A)
None
 1.40A 6gbnB-2jdcA:
undetectable		 6gbnB-2jdcA:
14.91