SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'BJW'


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.
1YC2_A_NCAA506_0
(NAD-DEPENDENT
DEACETYLASE 2)		 6enx NAD-DEPENDENT
PROTEIN DEACYLASE
SIRTUIN-5,
MITOCHONDRIAL
(Danio
rerio) 		4 / 6 ALA A  55
PHE A  66
ASN A 137
ILE A 138
 BJW  A 303 (-3.5A)
BJW  A 303 (-3.6A)
None
BJW  A 303 (-3.9A)
 0.72A 1yc2A-6enxA:
24.3		 1yc2A-6enxA:
40.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1YC2_A_NCAA506_0
(NAD-DEPENDENT
DEACETYLASE 2)		 6enx NAD-DEPENDENT
PROTEIN DEACYLASE
SIRTUIN-5,
MITOCHONDRIAL
(Danio
rerio) 		5 / 6 ALA A  55
SER A  58
ASN A 137
ILE A 138
ASP A 139
 BJW  A 303 (-3.5A)
None
None
BJW  A 303 (-3.9A)
None
 0.31A 1yc2A-6enxA:
24.3		 1yc2A-6enxA:
40.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1YC2_D_NCAD510_0
(NAD-DEPENDENT
DEACETYLASE 2)		 6enx NAD-DEPENDENT
PROTEIN DEACYLASE
SIRTUIN-5,
MITOCHONDRIAL
(Danio
rerio) 		5 / 5 ALA A  55
PHE A  66
ASN A 137
ILE A 138
ASP A 139
 BJW  A 303 (-3.5A)
BJW  A 303 (-3.6A)
None
BJW  A 303 (-3.9A)
None
 0.67A 1yc2D-6enxA:
24.0		 1yc2D-6enxA:
40.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1YC2_E_NCAE507_0
(NAD-DEPENDENT
DEACETYLASE 2)		 6enx NAD-DEPENDENT
PROTEIN DEACYLASE
SIRTUIN-5,
MITOCHONDRIAL
(Danio
rerio) 		4 / 7 PHE A  66
ASN A 137
ILE A 138
ASP A 139
 BJW  A 303 (-3.6A)
None
BJW  A 303 (-3.9A)
None
 0.35A 1yc2E-6enxA:
24.6		 1yc2E-6enxA:
40.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1YC5_A_NCAA2001_0
(NAD-DEPENDENT
DEACETYLASE)		 6enx NAD-DEPENDENT
PROTEIN DEACYLASE
SIRTUIN-5,
MITOCHONDRIAL
(Danio
rerio) 		5 / 7 ALA A  55
SER A  58
ASN A 137
ILE A 138
ASP A 139
 BJW  A 303 (-3.5A)
None
None
BJW  A 303 (-3.9A)
None
 0.32A 1yc5A-6enxA:
24.0		 1yc5A-6enxA:
32.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2H4J_A_NCAA1002_0
(NAD-DEPENDENT
DEACETYLASE)		 6enx NAD-DEPENDENT
PROTEIN DEACYLASE
SIRTUIN-5,
MITOCHONDRIAL
(Danio
rerio) 		4 / 5 ALA A  55
ASN A 137
ILE A 138
ASP A 139
 BJW  A 303 (-3.5A)
None
BJW  A 303 (-3.9A)
None
 0.17A 2h4jA-6enxA:
23.4		 2h4jA-6enxA:
32.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2NYR_B_SVRB401_1
(NAD-DEPENDENT
DEACETYLASE
SIRTUIN-5)		 6enx NAD-DEPENDENT
PROTEIN DEACYLASE
SIRTUIN-5,
MITOCHONDRIAL
(Danio
rerio) 		6 / 12 ALA A  55
ALA A  78
ALA A  82
TYR A  98
PHE A 219
LEU A 223
 BJW  A 303 (-3.5A)
None
BJW  A 303 ( 4.7A)
BJW  A 303 (-4.4A)
BJW  A 303 (-4.1A)
None
 1.04A 2nyrA-6enxA:
34.5		 2nyrA-6enxA:
74.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2NYR_B_SVRB401_1
(NAD-DEPENDENT
DEACETYLASE
SIRTUIN-5)		 6enx NAD-DEPENDENT
PROTEIN DEACYLASE
SIRTUIN-5,
MITOCHONDRIAL
(Danio
rerio) 		6 / 12 ALA A  55
ALA A  82
TYR A  98
ILE A 138
PHE A 219
LEU A 223
 BJW  A 303 (-3.5A)
BJW  A 303 ( 4.7A)
BJW  A 303 (-4.4A)
BJW  A 303 (-3.9A)
BJW  A 303 (-4.1A)
None
 0.82A 2nyrA-6enxA:
34.5		 2nyrA-6enxA:
74.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2NYR_B_SVRB401_1
(NAD-DEPENDENT
DEACETYLASE
SIRTUIN-5)		 6enx NAD-DEPENDENT
PROTEIN DEACYLASE
SIRTUIN-5,
MITOCHONDRIAL
(Danio
rerio) 		5 / 12 ALA A  55
THR A  65
ALA A  82
TYR A  98
PHE A 219
 BJW  A 303 (-3.5A)
BJW  A 303 (-4.0A)
BJW  A 303 ( 4.7A)
BJW  A 303 (-4.4A)
BJW  A 303 (-4.1A)
 0.94A 2nyrA-6enxA:
34.5		 2nyrA-6enxA:
74.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2NYR_B_SVRB401_1
(NAD-DEPENDENT
DEACETYLASE
SIRTUIN-5)		 6enx NAD-DEPENDENT
PROTEIN DEACYLASE
SIRTUIN-5,
MITOCHONDRIAL
(Danio
rerio) 		6 / 12 ALA A  82
PHE A  97
TYR A  98
ILE A 138
PHE A 219
LEU A 223
 BJW  A 303 ( 4.7A)
None
BJW  A 303 (-4.4A)
BJW  A 303 (-3.9A)
BJW  A 303 (-4.1A)
None
 0.43A 2nyrA-6enxA:
34.5		 2nyrA-6enxA:
74.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2NYR_B_SVRB401_1
(NAD-DEPENDENT
DEACETYLASE
SIRTUIN-5)		 6enx NAD-DEPENDENT
PROTEIN DEACYLASE
SIRTUIN-5,
MITOCHONDRIAL
(Danio
rerio) 		5 / 12 THR A  65
ALA A  82
PHE A  97
TYR A  98
PHE A 219
 BJW  A 303 (-4.0A)
BJW  A 303 ( 4.7A)
None
BJW  A 303 (-4.4A)
BJW  A 303 (-4.1A)
 0.62A 2nyrA-6enxA:
34.5		 2nyrA-6enxA:
74.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2NYR_B_SVRB401_3
(NAD-DEPENDENT
DEACETYLASE
SIRTUIN-5)		 6enx NAD-DEPENDENT
PROTEIN DEACYLASE
SIRTUIN-5,
MITOCHONDRIAL
(Danio
rerio) 		6 / 12 ARG A  67
ARG A 101
PHE A 219
GLY A 220
LEU A 228
MET A 255
 BJW  A 303 (-2.9A)
BJW  A 303 (-2.9A)
BJW  A 303 (-4.1A)
BJW  A 303 (-3.6A)
None
None
 1.36A 2nyrB-6enxA:
27.0		 2nyrB-6enxA:
74.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2NYR_B_SVRB401_3
(NAD-DEPENDENT
DEACETYLASE
SIRTUIN-5)		 6enx NAD-DEPENDENT
PROTEIN DEACYLASE
SIRTUIN-5,
MITOCHONDRIAL
(Danio
rerio) 		6 / 12 HIS A 154
PHE A 219
GLY A 220
LEU A 228
TYR A 251
MET A 255
 BJW  A 303 (-3.8A)
BJW  A 303 (-4.1A)
BJW  A 303 (-3.6A)
None
BJW  A 303 ( 4.6A)
None
 1.26A 2nyrB-6enxA:
27.0		 2nyrB-6enxA:
74.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2NYR_B_SVRB401_3
(NAD-DEPENDENT
DEACETYLASE
SIRTUIN-5)		 6enx NAD-DEPENDENT
PROTEIN DEACYLASE
SIRTUIN-5,
MITOCHONDRIAL
(Danio
rerio) 		8 / 12 TYR A  98
ARG A 101
ILE A 138
HIS A 154
PHE A 219
GLY A 220
LEU A 228
MET A 255
 BJW  A 303 (-4.4A)
BJW  A 303 (-2.9A)
BJW  A 303 (-3.9A)
BJW  A 303 (-3.8A)
BJW  A 303 (-4.1A)
BJW  A 303 (-3.6A)
None
None
 1.03A 2nyrB-6enxA:
27.0		 2nyrB-6enxA:
74.91
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.
4BBO_C_ACTC1113_0
(BLR5658 PROTEIN)		 6enx NAD-DEPENDENT
PROTEIN DEACYLASE
SIRTUIN-5,
MITOCHONDRIAL
(Danio
rerio) 		4 / 4 ASN A 137
ALA A  55
GLY A  54
THR A 246
 None
BJW  A 303 (-3.5A)
BJW  A 303 (-3.2A)
BJW  A 303 (-3.7A)
 1.20A 4bboC-6enxA:
undetectable		 4bboC-6enxA:
15.87
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.
4RMJ_A_NCAA402_0
(NAD-DEPENDENT
PROTEIN DEACETYLASE
SIRTUIN-2)		 6enx NAD-DEPENDENT
PROTEIN DEACYLASE
SIRTUIN-5,
MITOCHONDRIAL
(Danio
rerio) 		4 / 7 PHE A  66
ASN A 137
ILE A 138
ASP A 139
 BJW  A 303 (-3.6A)
None
BJW  A 303 (-3.9A)
None
 0.31A 4rmjA-6enxA:
25.3		 4rmjA-6enxA:
26.60