SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'TOX'


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.
3D91_A_REMA350_2
(RENIN)		 5kqi CATALASE-PEROXIDASE
(Burkholderia
pseudomallei) 		4 / 5 TYR A 201
ALA A 120
ALA A 231
TYR A 238
 None
None
None
TOX  A 111 ( 2.9A)
 1.10A 3d91A-5kqiA:
undetectable		 3d91A-5kqiA:
17.44
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.
4K4Y_A_ACTA502_0
(RNA-DEPENDENT RNA
POLYMERASE)		 5kqi CATALASE-PEROXIDASE
(Burkholderia
pseudomallei) 		4 / 5 LYS A 422
LEU A 423
GLU A 270
LEU A 274
 None
TOX  A 111 ( 4.5A)
None
HEM  A 801 (-4.1A)
 1.32A 4k4yA-5kqiA:
undetectable		 4k4yA-5kqiA:
20.41
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.
4K4Y_E_ACTE503_0
(RNA-DEPENDENT RNA
POLYMERASE)		 5kqi CATALASE-PEROXIDASE
(Burkholderia
pseudomallei) 		4 / 4 LYS A 422
LEU A 423
GLU A 270
LEU A 274
 None
TOX  A 111 ( 4.5A)
None
HEM  A 801 (-4.1A)
 1.33A 4k4yE-5kqiA:
undetectable		 4k4yE-5kqiA:
20.41
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.
4K4Y_I_ACTI503_0
(RNA-DEPENDENT RNA
POLYMERASE)		 5kqi CATALASE-PEROXIDASE
(Burkholderia
pseudomallei) 		4 / 5 LYS A 422
LEU A 423
GLU A 270
LEU A 274
 None
TOX  A 111 ( 4.5A)
None
HEM  A 801 (-4.1A)
 1.35A 4k4yI-5kqiA:
undetectable		 4k4yI-5kqiA:
20.41
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.
4U9U_A_ACTA1502_0
(NA(+)-TRANSLOCATING
NADH-QUINONE
REDUCTASE SUBUNIT F)		 3ut2 CATALASE-PEROXIDASE
2
(Magnaporthe
oryzae) 		4 / 5 ARG A 461
GLY A 144
ALA A 143
GLY A 153
 None
TOX  A 140 ( 3.1A)
TOX  A 140 ( 4.1A)
None
 0.83A 4u9uA-3ut2A:
undetectable		 4u9uA-3ut2A:
16.93
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.
4U9U_B_ACTB1502_0
(NA(+)-TRANSLOCATING
NADH-QUINONE
REDUCTASE SUBUNIT F)		 3ut2 CATALASE-PEROXIDASE
2
(Magnaporthe
oryzae) 		4 / 5 ARG A 461
GLY A 144
ALA A 143
GLY A 153
 None
TOX  A 140 ( 3.1A)
TOX  A 140 ( 4.1A)
None
 0.86A 4u9uB-3ut2A:
undetectable		 4u9uB-3ut2A:
16.93
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.
5HIK_A_SAMA301_0
(GLYCINE SARCOSINE
N-METHYLTRANSFERASE)		 3ut2 CATALASE-PEROXIDASE
2
(Magnaporthe
oryzae) 		5 / 12 GLY A 156
GLY A 144
SER A 142
GLY A 464
HIS A 460
 None
TOX  A 140 ( 3.1A)
None
None
None
 1.23A 5hikA-3ut2A:
undetectable		 5hikA-3ut2A:
17.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5SYI_B_NIZB806_1
(CATALASE-PEROXIDASE)		 3ut2 CATALASE-PEROXIDASE
2
(Magnaporthe
oryzae) 		4 / 5 ARG A 137
HIS A 141
PRO A 276
SER A 359
 HEM  A1500 ( 4.3A)
TOX  A 140 ( 3.9A)
HEM  A1500 (-4.4A)
HEM  A1500 (-2.6A)
 0.16A 5syiB-3ut2A:
66.4		 5syiB-3ut2A:
58.51
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.
5SYI_B_NIZB806_1
(CATALASE-PEROXIDASE)		 5whs CATALASE-PEROXIDASE
(Neurospora
crassa) 		4 / 5 ARG A  87
HIS A  91
PRO A 241
SER A 324
 HEM  A 800 (-4.7A)
TOX  A  90 ( 3.8A)
HEM  A 800 ( 4.2A)
HEM  A 800 (-2.9A)
 0.39A 5syiB-5whsA:
67.3		 5syiB-5whsA:
5.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5SYJ_A_NIZA810_1
(CATALASE-PEROXIDASE)		 3ut2 CATALASE-PEROXIDASE
2
(Magnaporthe
oryzae) 		5 / 6 ARG A 137
HIS A 141
LEU A 271
PRO A 276
SER A 359
 HEM  A1500 ( 4.3A)
TOX  A 140 ( 3.9A)
None
HEM  A1500 (-4.4A)
HEM  A1500 (-2.6A)
 0.20A 5syjA-3ut2A:
66.0		 5syjA-3ut2A:
58.51
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.
5SYJ_A_NIZA810_1
(CATALASE-PEROXIDASE)		 5whs CATALASE-PEROXIDASE
(Neurospora
crassa) 		5 / 6 ARG A  87
HIS A  91
LEU A 236
PRO A 241
SER A 324
 HEM  A 800 (-4.7A)
TOX  A  90 ( 3.8A)
None
HEM  A 800 ( 4.2A)
HEM  A 800 (-2.9A)
 0.34A 5syjA-5whsA:
67.2		 5syjA-5whsA:
5.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5SYJ_B_NIZB810_1
(CATALASE-PEROXIDASE)		 3ut2 CATALASE-PEROXIDASE
2
(Magnaporthe
oryzae) 		5 / 6 ARG A 137
HIS A 141
LEU A 271
PRO A 276
SER A 359
 HEM  A1500 ( 4.3A)
TOX  A 140 ( 3.9A)
None
HEM  A1500 (-4.4A)
HEM  A1500 (-2.6A)
 0.20A 5syjB-3ut2A:
65.9		 5syjB-3ut2A:
58.51
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.
5SYJ_B_NIZB810_1
(CATALASE-PEROXIDASE)		 5whs CATALASE-PEROXIDASE
(Neurospora
crassa) 		5 / 6 ARG A  87
HIS A  91
LEU A 236
PRO A 241
SER A 324
 HEM  A 800 (-4.7A)
TOX  A  90 ( 3.8A)
None
HEM  A 800 ( 4.2A)
HEM  A 800 (-2.9A)
 0.34A 5syjB-5whsA:
67.1		 5syjB-5whsA:
5.67
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.
6GNG_A_QPSA601_2
(-)		 5whs CATALASE-PEROXIDASE
(Neurospora
crassa) 		5 / 12 GLY A 104
TYR A 238
VAL A 180
ARG A 426
GLY A 101
 None
TOX  A  90 ( 2.8A)
None
None
None
 1.40A 6gngA-5whsA:
undetectable		 6gngA-5whsA:
12.45