SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4eut'

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.
1DZ4_A_CAMA502_0
(CYTOCHROME P450-CAM)		 4eut SERINE/THREONINE-PRO
TEIN KINASE TBK1
(Homo
sapiens) 		4 / 6 PHE A 112
LEU A 281
VAL A 280
VAL A 119
 None
 1.12A 1dz4A-4eutA:
undetectable		 1dz4A-4eutA:
20.56
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.
1DZ4_B_CAMB502_0
(CYTOCHROME P450-CAM)		 4eut SERINE/THREONINE-PRO
TEIN KINASE TBK1
(Homo
sapiens) 		4 / 6 PHE A 112
LEU A 281
VAL A 280
VAL A 119
 None
 1.16A 1dz4B-4eutA:
undetectable		 1dz4B-4eutA:
20.56
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.
1FMO_E_ADNE351_1
(CAMP-DEPENDENT
PROTEIN KINASE)		 4eut SERINE/THREONINE-PRO
TEIN KINASE TBK1
(Homo
sapiens) 		7 / 12 LEU A  15
GLY A  16
VAL A  23
ALA A  36
VAL A  68
ASN A 140
THR A 156
 BX7  A 401 (-3.7A)
BX7  A 401 ( 3.7A)
BX7  A 401 (-4.4A)
BX7  A 401 (-3.4A)
None
None
IOD  A 402 ( 3.4A)
 0.57A 1fmoE-4eutA:
21.7		 1fmoE-4eutA:
26.41
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.
1FMO_E_ADNE351_1
(CAMP-DEPENDENT
PROTEIN KINASE)		 4eut SERINE/THREONINE-PRO
TEIN KINASE TBK1
(Homo
sapiens) 		7 / 12 LEU A  15
VAL A  23
ALA A  36
VAL A  68
ASN A 140
THR A 156
ASP A 157
 BX7  A 401 (-3.7A)
BX7  A 401 (-4.4A)
BX7  A 401 (-3.4A)
None
None
IOD  A 402 ( 3.4A)
BX7  A 401 ( 3.7A)
 0.74A 1fmoE-4eutA:
21.7		 1fmoE-4eutA:
26.41
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.
1HK2_A_T44A3003_1
(SERUM ALBUMIN)		 4eut SERINE/THREONINE-PRO
TEIN KINASE TBK1
(Homo
sapiens) 		4 / 6 PHE A 295
LYS A 196
LYS A 197
ALA A 200
 None
 0.99A 1hk2A-4eutA:
undetectable		 1hk2A-4eutA:
20.29
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.
1IEP_A_STIA201_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL)		 4eut SERINE/THREONINE-PRO
TEIN KINASE TBK1
(Homo
sapiens) 		6 / 12 LEU A  15
VAL A  23
ALA A  36
GLU A  55
PHE A  88
GLY A  92
 BX7  A 401 (-3.7A)
BX7  A 401 (-4.4A)
BX7  A 401 (-3.4A)
None
BX7  A 401 ( 4.6A)
BX7  A 401 (-3.5A)
 0.64A 1iepA-4eutA:
11.2		 1iepA-4eutA:
22.22
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.
1IEP_A_STIA201_2
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL)		 4eut SERINE/THREONINE-PRO
TEIN KINASE TBK1
(Homo
sapiens) 		4 / 6 LYS A  38
VAL A  58
VAL A  68
ARG A 134
 BX7  A 401 ( 4.0A)
None
None
None
 1.12A 1iepA-4eutA:
11.2		 1iepA-4eutA:
22.22
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.
1IEP_B_STIB202_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL)		 4eut SERINE/THREONINE-PRO
TEIN KINASE TBK1
(Homo
sapiens) 		6 / 12 LEU A  15
VAL A  23
ALA A  36
GLU A  55
PHE A  88
GLY A  92
 BX7  A 401 (-3.7A)
BX7  A 401 (-4.4A)
BX7  A 401 (-3.4A)
None
BX7  A 401 ( 4.6A)
BX7  A 401 (-3.5A)
 0.59A 1iepB-4eutA:
11.6		 1iepB-4eutA:
22.22
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.
1OPJ_B_STIB4_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 4eut SERINE/THREONINE-PRO
TEIN KINASE TBK1
(Homo
sapiens) 		6 / 12 VAL A  23
ALA A  36
GLU A  55
VAL A  68
PHE A  88
GLY A  92
 BX7  A 401 (-4.4A)
BX7  A 401 (-3.4A)
None
None
BX7  A 401 ( 4.6A)
BX7  A 401 (-3.5A)
 0.72A 1opjB-4eutA:
11.8		 1opjB-4eutA:
22.22
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.
1OPJ_B_STIB4_2
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 4eut SERINE/THREONINE-PRO
TEIN KINASE TBK1
(Homo
sapiens) 		4 / 6 LEU A  15
LYS A  38
VAL A  58
ARG A 134
 BX7  A 401 (-3.7A)
BX7  A 401 ( 4.0A)
None
None
 0.97A 1opjB-4eutA:
11.8		 1opjB-4eutA:
22.22
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.
1T46_A_STIA3_1
(HOMO SAPIENS V-KIT
HARDY-ZUCKERMAN 4
FELINE SARCOMA VIRAL
ONCOGENE HOMOLOG)		 4eut SERINE/THREONINE-PRO
TEIN KINASE TBK1
(Homo
sapiens) 		7 / 12 LEU A  15
VAL A  23
ALA A  36
LYS A  38
GLU A  55
LEU A  59
GLY A  92
 BX7  A 401 (-3.7A)
BX7  A 401 (-4.4A)
BX7  A 401 (-3.4A)
BX7  A 401 ( 4.0A)
None
None
BX7  A 401 (-3.5A)
 0.48A 1t46A-4eutA:
19.6		 1t46A-4eutA:
23.56
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.
1T88_B_CAMB2422_0
(CYTOCHROME P450-CAM)		 4eut SERINE/THREONINE-PRO
TEIN KINASE TBK1
(Homo
sapiens) 		4 / 5 PHE A 112
LEU A 281
VAL A 280
VAL A 119
 None
 1.13A 1t88B-4eutA:
undetectable		 1t88B-4eutA:
20.56
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.
1UWH_A_BAXA1723_1
(B-RAF PROTO-ONCOGENE
SERINE/THREONINE-PRO
TEIN KINASE)		 4eut SERINE/THREONINE-PRO
TEIN KINASE TBK1
(Homo
sapiens) 		6 / 12 ALA A  36
GLU A  55
LEU A  59
CYH A  89
LEU A 126
HIS A 133
 BX7  A 401 (-3.4A)
None
None
BX7  A 401 (-4.1A)
None
None
 0.67A 1uwhA-4eutA:
20.5		 1uwhA-4eutA:
23.18
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.
1UWH_B_BAXB1723_1
(B-RAF PROTO-ONCOGENE
SERINE/THREONINE-PRO
TEIN KINASE)		 4eut SERINE/THREONINE-PRO
TEIN KINASE TBK1
(Homo
sapiens) 		7 / 12 ALA A  36
LYS A  38
GLU A  55
LEU A  59
CYH A  89
LEU A 126
HIS A 133
 BX7  A 401 (-3.4A)
BX7  A 401 ( 4.0A)
None
None
BX7  A 401 (-4.1A)
None
None
 0.70A 1uwhB-4eutA:
20.5		 1uwhB-4eutA:
23.18
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.
1XKK_A_FMMA91_2
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 4eut SERINE/THREONINE-PRO
TEIN KINASE TBK1
(Homo
sapiens) 		5 / 9 LEU A  15
VAL A  23
LYS A  38
LEU A  70
LEU A  84
 BX7  A 401 (-3.7A)
BX7  A 401 (-4.4A)
BX7  A 401 ( 4.0A)
None
None
 0.73A 1xkkA-4eutA:
11.1		 1xkkA-4eutA:
23.71
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.
1Z11_A_8MOA501_0
(CYTOCHROME P450,
FAMILY 2, SUBFAMILY
A, POLYPEPTIDE 6)		 4eut SERINE/THREONINE-PRO
TEIN KINASE TBK1
(Homo
sapiens) 		5 / 11 VAL A 280
ILE A 207
GLY A 208
LEU A 277
PHE A 112
 None
 0.88A 1z11A-4eutA:
undetectable		 1z11A-4eutA:
22.00
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.
1Z11_B_8MOB501_0
(CYTOCHROME P450,
FAMILY 2, SUBFAMILY
A, POLYPEPTIDE 6)		 4eut SERINE/THREONINE-PRO
TEIN KINASE TBK1
(Homo
sapiens) 		5 / 11 VAL A 280
ILE A 207
GLY A 208
LEU A 277
PHE A 112
 None
 0.96A 1z11B-4eutA:
undetectable		 1z11B-4eutA:
22.00
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.
1Z11_C_8MOC501_0
(CYTOCHROME P450,
FAMILY 2, SUBFAMILY
A, POLYPEPTIDE 6)		 4eut SERINE/THREONINE-PRO
TEIN KINASE TBK1
(Homo
sapiens) 		5 / 10 VAL A 280
ILE A 207
GLY A 208
LEU A 277
PHE A 112
 None
 0.95A 1z11C-4eutA:
undetectable		 1z11C-4eutA:
22.00
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.
1Z11_D_8MOD501_0
(CYTOCHROME P450,
FAMILY 2, SUBFAMILY
A, POLYPEPTIDE 6)		 4eut SERINE/THREONINE-PRO
TEIN KINASE TBK1
(Homo
sapiens) 		5 / 10 VAL A 280
ILE A 207
GLY A 208
LEU A 277
PHE A 112
 None
 0.94A 1z11D-4eutA:
undetectable		 1z11D-4eutA:
22.00
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.
1ZQ9_B_SAMB4001_0
(PROBABLE
DIMETHYLADENOSINE
TRANSFERASE)		 4eut SERINE/THREONINE-PRO
TEIN KINASE TBK1
(Homo
sapiens) 		5 / 12 GLY A 217
VAL A 115
LEU A  94
PRO A 138
ILE A 141
 None
 1.01A 1zq9B-4eutA:
undetectable		 1zq9B-4eutA:
22.03
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.
2FEU_A_CAMA1420_0
(CYTOCHROME P450-CAM)		 4eut SERINE/THREONINE-PRO
TEIN KINASE TBK1
(Homo
sapiens) 		4 / 6 PHE A 112
LEU A 281
VAL A 280
VAL A 119
 None
 1.05A 2feuA-4eutA:
undetectable		 2feuA-4eutA:
20.82
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.
2FUM_A_MIXA539_1
(PROBABLE
SERINE/THREONINE-PRO
TEIN KINASE PKNB)		 4eut SERINE/THREONINE-PRO
TEIN KINASE TBK1
(Homo
sapiens) 		7 / 12 LEU A  15
GLY A  16
VAL A  23
ALA A  36
ASN A 140
MET A 142
ASP A 157
 BX7  A 401 (-3.7A)
BX7  A 401 ( 3.7A)
BX7  A 401 (-4.4A)
BX7  A 401 (-3.4A)
None
BX7  A 401 (-3.9A)
BX7  A 401 ( 3.7A)
 0.74A 2fumA-4eutA:
13.9		 2fumA-4eutA:
24.19
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.
2FUM_B_MIXB1539_1
(PROBABLE
SERINE/THREONINE-PRO
TEIN KINASE PKNB)		 4eut SERINE/THREONINE-PRO
TEIN KINASE TBK1
(Homo
sapiens) 		7 / 12 LEU A  15
GLY A  16
VAL A  23
ALA A  36
ASN A 140
MET A 142
ASP A 157
 BX7  A 401 (-3.7A)
BX7  A 401 ( 3.7A)
BX7  A 401 (-4.4A)
BX7  A 401 (-3.4A)
None
BX7  A 401 (-3.9A)
BX7  A 401 ( 3.7A)
 0.76A 2fumB-4eutA:
13.9		 2fumB-4eutA:
24.19
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.
2FUM_B_MIXB1539_1
(PROBABLE
SERINE/THREONINE-PRO
TEIN KINASE PKNB)		 4eut SERINE/THREONINE-PRO
TEIN KINASE TBK1
(Homo
sapiens) 		7 / 12 LEU A  15
GLY A  16
VAL A  23
ALA A  36
MET A  86
ASN A 140
ASP A 157
 BX7  A 401 (-3.7A)
BX7  A 401 ( 3.7A)
BX7  A 401 (-4.4A)
BX7  A 401 (-3.4A)
BX7  A 401 (-4.5A)
None
BX7  A 401 ( 3.7A)
 0.61A 2fumB-4eutA:
13.9		 2fumB-4eutA:
24.19
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.
2FUM_D_MIXD3539_1
(PROBABLE
SERINE/THREONINE-PRO
TEIN KINASE PKNB)		 4eut SERINE/THREONINE-PRO
TEIN KINASE TBK1
(Homo
sapiens) 		8 / 12 LEU A  15
GLY A  16
GLY A  18
VAL A  23
ALA A  36
ASN A 140
MET A 142
ASP A 157
 BX7  A 401 (-3.7A)
BX7  A 401 ( 3.7A)
BX7  A 401 (-3.5A)
BX7  A 401 (-4.4A)
BX7  A 401 (-3.4A)
None
BX7  A 401 (-3.9A)
BX7  A 401 ( 3.7A)
 1.12A 2fumD-4eutA:
13.0		 2fumD-4eutA:
24.19
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.
2FUM_D_MIXD3539_1
(PROBABLE
SERINE/THREONINE-PRO
TEIN KINASE PKNB)		 4eut SERINE/THREONINE-PRO
TEIN KINASE TBK1
(Homo
sapiens) 		8 / 12 LEU A  15
GLY A  16
GLY A  18
VAL A  23
ALA A  36
LYS A 137
ASN A 140
MET A 142
 BX7  A 401 (-3.7A)
BX7  A 401 ( 3.7A)
BX7  A 401 (-3.5A)
BX7  A 401 (-4.4A)
BX7  A 401 (-3.4A)
None
None
BX7  A 401 (-3.9A)
 1.02A 2fumD-4eutA:
13.0		 2fumD-4eutA:
24.19
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.
2FUM_D_MIXD3539_1
(PROBABLE
SERINE/THREONINE-PRO
TEIN KINASE PKNB)		 4eut SERINE/THREONINE-PRO
TEIN KINASE TBK1
(Homo
sapiens) 		7 / 12 LEU A  15
GLY A  16
VAL A  23
ALA A  36
MET A  86
LYS A 137
ASN A 140
 BX7  A 401 (-3.7A)
BX7  A 401 ( 3.7A)
BX7  A 401 (-4.4A)
BX7  A 401 (-3.4A)
BX7  A 401 (-4.5A)
None
None
 0.69A 2fumD-4eutA:
13.0		 2fumD-4eutA:
24.19
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.
2HRC_A_CHDA701_0
(FERROCHELATASE)		 4eut SERINE/THREONINE-PRO
TEIN KINASE TBK1
(Homo
sapiens) 		5 / 12 MET A 263
LEU A 277
LEU A 269
ILE A 284
SER A 268
 None
 1.18A 2hrcA-4eutA:
undetectable		 2hrcA-4eutA:
20.90
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.
2HYY_A_STIA600_2
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 4eut SERINE/THREONINE-PRO
TEIN KINASE TBK1
(Homo
sapiens) 		5 / 6 LEU A  15
LYS A  38
VAL A  58
VAL A  68
ARG A 134
 BX7  A 401 (-3.7A)
BX7  A 401 ( 4.0A)
None
None
None
 1.06A 2hyyA-4eutA:
12.2		 2hyyA-4eutA:
23.04
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.
2HYY_B_STIB600_2
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 4eut SERINE/THREONINE-PRO
TEIN KINASE TBK1
(Homo
sapiens) 		4 / 6 LEU A  15
LYS A  38
VAL A  58
VAL A  68
 BX7  A 401 (-3.7A)
BX7  A 401 ( 4.0A)
None
None
 0.73A 2hyyB-4eutA:
11.4		 2hyyB-4eutA:
23.04
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.
2M56_A_CAMA502_0
(CAMPHOR
5-MONOOXYGENASE)		 4eut SERINE/THREONINE-PRO
TEIN KINASE TBK1
(Homo
sapiens) 		4 / 5 PHE A 112
LEU A 281
VAL A 280
VAL A 119
 None
 1.18A 2m56A-4eutA:
undetectable		 2m56A-4eutA:
20.00
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.
2PNJ_B_CHDB501_0
(FERROCHELATASE,
MITOCHONDRIAL)		 4eut SERINE/THREONINE-PRO
TEIN KINASE TBK1
(Homo
sapiens) 		5 / 12 MET A 263
LEU A 277
LEU A 269
ILE A 284
SER A 268
 None
 1.17A 2pnjB-4eutA:
undetectable		 2pnjB-4eutA:
20.94
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.
2PO5_A_CHDA501_0
(FERROCHELATASE,
MITOCHONDRIAL)		 4eut SERINE/THREONINE-PRO
TEIN KINASE TBK1
(Homo
sapiens) 		5 / 12 MET A 263
LEU A 277
LEU A 269
ILE A 284
SER A 268
 None
 1.18A 2po5A-4eutA:
undetectable		 2po5A-4eutA:
20.62
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.
2QX4_A_ML1A233_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		 4eut SERINE/THREONINE-PRO
TEIN KINASE TBK1
(Homo
sapiens) 		4 / 8 ILE A 207
PHE A 295
GLY A 121
GLY A 122
 None
 0.83A 2qx4A-4eutA:
undetectable
2qx4B-4eutA:
undetectable		 2qx4A-4eutA:
19.70
2qx4B-4eutA:
19.70
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.
2QX6_A_ML1A233_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		 4eut SERINE/THREONINE-PRO
TEIN KINASE TBK1
(Homo
sapiens) 		4 / 6 ILE A 207
PHE A 295
GLY A 121
GLY A 122
 None
 0.84A 2qx6A-4eutA:
undetectable
2qx6B-4eutA:
undetectable		 2qx6A-4eutA:
19.70
2qx6B-4eutA:
19.70
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.
3AQI_B_CHDB6_0
(FERROCHELATASE)		 4eut SERINE/THREONINE-PRO
TEIN KINASE TBK1
(Homo
sapiens) 		5 / 12 MET A 263
LEU A 277
LEU A 269
ILE A 284
SER A 268
 None
 0.99A 3aqiB-4eutA:
undetectable		 3aqiB-4eutA:
21.00
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.
3C7Q_A_XINA1172_1
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)		 4eut SERINE/THREONINE-PRO
TEIN KINASE TBK1
(Homo
sapiens) 		8 / 12 LEU A  15
GLY A  16
ALA A  36
LYS A  38
VAL A  68
PHE A  88
CYH A  89
GLY A  92
 BX7  A 401 (-3.7A)
BX7  A 401 ( 3.7A)
BX7  A 401 (-3.4A)
BX7  A 401 ( 4.0A)
None
BX7  A 401 ( 4.6A)
BX7  A 401 (-4.1A)
BX7  A 401 (-3.5A)
 0.69A 3c7qA-4eutA:
18.9		 3c7qA-4eutA:
21.66
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.
3CS9_A_NILA600_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 4eut SERINE/THREONINE-PRO
TEIN KINASE TBK1
(Homo
sapiens) 		5 / 10 LEU A  15
VAL A  23
LYS A  38
VAL A  68
PHE A  88
 BX7  A 401 (-3.7A)
BX7  A 401 (-4.4A)
BX7  A 401 ( 4.0A)
None
BX7  A 401 ( 4.6A)
 0.64A 3cs9A-4eutA:
11.0		 3cs9A-4eutA:
23.12
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.
3CS9_D_NILD600_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 4eut SERINE/THREONINE-PRO
TEIN KINASE TBK1
(Homo
sapiens) 		5 / 12 ALA A  36
GLU A  55
VAL A  58
PHE A  88
GLY A  92
 BX7  A 401 (-3.4A)
None
None
BX7  A 401 ( 4.6A)
BX7  A 401 (-3.5A)
 0.65A 3cs9D-4eutA:
12.1		 3cs9D-4eutA:
23.12
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.
3FWG_A_CAMA420_0
(CAMPHOR
5-MONOOXYGENASE)		 4eut SERINE/THREONINE-PRO
TEIN KINASE TBK1
(Homo
sapiens) 		4 / 6 PHE A 112
LEU A 281
VAL A 280
VAL A 119
 None
 1.07A 3fwgA-4eutA:
undetectable		 3fwgA-4eutA:
19.82
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.
3G0E_A_B49A9000_1
(MAST/STEM CELL
GROWTH FACTOR
RECEPTOR)		 4eut SERINE/THREONINE-PRO
TEIN KINASE TBK1
(Homo
sapiens) 		6 / 11 LEU A  15
VAL A  23
ALA A  36
VAL A  68
CYH A  89
GLY A  92
 BX7  A 401 (-3.7A)
BX7  A 401 (-4.4A)
BX7  A 401 (-3.4A)
None
BX7  A 401 (-4.1A)
BX7  A 401 (-3.5A)
 0.28A 3g0eA-4eutA:
18.6		 3g0eA-4eutA:
23.32
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.
3HCN_A_CHDA3_0
(FERROCHELATASE,
MITOCHONDRIAL)		 4eut SERINE/THREONINE-PRO
TEIN KINASE TBK1
(Homo
sapiens) 		4 / 7 LEU A 277
PRO A 220
SER A 247
GLY A 217
 None
 1.02A 3hcnA-4eutA:
undetectable		 3hcnA-4eutA:
20.90
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.
3HCR_A_CHDA424_0
(FERROCHELATASE,
MITOCHONDRIAL)		 4eut SERINE/THREONINE-PRO
TEIN KINASE TBK1
(Homo
sapiens) 		4 / 8 LEU A 277
PRO A 220
SER A 247
GLY A 217
 None
 1.00A 3hcrA-4eutA:
undetectable		 3hcrA-4eutA:
20.90
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.
3HCR_B_CHDB924_0
(FERROCHELATASE,
MITOCHONDRIAL)		 4eut SERINE/THREONINE-PRO
TEIN KINASE TBK1
(Homo
sapiens) 		4 / 7 LEU A 277
PRO A 220
SER A 247
GLY A 217
 None
 1.01A 3hcrB-4eutA:
undetectable		 3hcrB-4eutA:
20.90
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.
3K5V_A_STIA2_2
(TYROSINE-PROTEIN
KINASE ABL1)		 4eut SERINE/THREONINE-PRO
TEIN KINASE TBK1
(Homo
sapiens) 		4 / 6 LEU A  15
LYS A  38
VAL A  58
VAL A  68
 BX7  A 401 (-3.7A)
BX7  A 401 ( 4.0A)
None
None
 0.71A 3k5vA-4eutA:
19.0		 3k5vA-4eutA:
22.22
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.
3K5V_B_STIB2_2
(TYROSINE-PROTEIN
KINASE ABL1)		 4eut SERINE/THREONINE-PRO
TEIN KINASE TBK1
(Homo
sapiens) 		4 / 6 LEU A  15
LYS A  38
VAL A  58
VAL A  68
 BX7  A 401 (-3.7A)
BX7  A 401 ( 4.0A)
None
None
 0.67A 3k5vB-4eutA:
18.6		 3k5vB-4eutA:
22.22
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.
3LXK_A_MI1A1125_1
(TYROSINE-PROTEIN
KINASE JAK3)		 4eut SERINE/THREONINE-PRO
TEIN KINASE TBK1
(Homo
sapiens) 		7 / 12 LEU A  15
GLY A  16
VAL A  23
ALA A  36
LYS A  38
VAL A  68
ASP A 157
 BX7  A 401 (-3.7A)
BX7  A 401 ( 3.7A)
BX7  A 401 (-4.4A)
BX7  A 401 (-3.4A)
BX7  A 401 ( 4.0A)
None
BX7  A 401 ( 3.7A)
 0.66A 3lxkA-4eutA:
22.3		 3lxkA-4eutA:
23.81
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.
3LXK_A_MI1A1125_1
(TYROSINE-PROTEIN
KINASE JAK3)		 4eut SERINE/THREONINE-PRO
TEIN KINASE TBK1
(Homo
sapiens) 		7 / 12 LEU A  15
GLY A  16
VAL A  23
ALA A  36
LYS A  38
VAL A  68
MET A  86
 BX7  A 401 (-3.7A)
BX7  A 401 ( 3.7A)
BX7  A 401 (-4.4A)
BX7  A 401 (-3.4A)
BX7  A 401 ( 4.0A)
None
BX7  A 401 (-4.5A)
 0.66A 3lxkA-4eutA:
22.3		 3lxkA-4eutA:
23.81
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.
3MS9_B_STIB1_1
(TYROSINE-PROTEIN
KINASE ABL1)		 4eut SERINE/THREONINE-PRO
TEIN KINASE TBK1
(Homo
sapiens) 		6 / 12 LEU A  15
VAL A  23
ALA A  36
GLU A  55
PHE A  88
GLY A  92
 BX7  A 401 (-3.7A)
BX7  A 401 (-4.4A)
BX7  A 401 (-3.4A)
None
BX7  A 401 ( 4.6A)
BX7  A 401 (-3.5A)
 0.58A 3ms9B-4eutA:
11.5		 3ms9B-4eutA:
22.22
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.
3MSS_B_STIB1_1
(TYROSINE-PROTEIN
KINASE ABL1)		 4eut SERINE/THREONINE-PRO
TEIN KINASE TBK1
(Homo
sapiens) 		6 / 12 LEU A  15
VAL A  23
ALA A  36
GLU A  55
PHE A  88
GLY A  92
 BX7  A 401 (-3.7A)
BX7  A 401 (-4.4A)
BX7  A 401 (-3.4A)
None
BX7  A 401 ( 4.6A)
BX7  A 401 (-3.5A)
 0.62A 3mssB-4eutA:
12.5		 3mssB-4eutA:
22.22
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.
3MSS_D_STID1_2
(TYROSINE-PROTEIN
KINASE ABL1)		 4eut SERINE/THREONINE-PRO
TEIN KINASE TBK1
(Homo
sapiens) 		4 / 6 VAL A  23
LYS A  38
VAL A  58
VAL A  68
 BX7  A 401 (-4.4A)
BX7  A 401 ( 4.0A)
None
None
 0.65A 3mssD-4eutA:
10.4		 3mssD-4eutA:
22.22
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.
3PYY_A_STIA3_1
(V-ABL ABELSON MURINE
LEUKEMIA VIRAL
ONCOGENE HOMOLOG 1
ISOFORM B VARIANT)		 4eut SERINE/THREONINE-PRO
TEIN KINASE TBK1
(Homo
sapiens) 		6 / 12 LEU A  15
VAL A  23
ALA A  36
GLU A  55
PHE A  88
GLY A  92
 BX7  A 401 (-3.7A)
BX7  A 401 (-4.4A)
BX7  A 401 (-3.4A)
None
BX7  A 401 ( 4.6A)
BX7  A 401 (-3.5A)
 0.78A 3pyyA-4eutA:
12.3		 3pyyA-4eutA:
22.28
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.
3T3R_A_9PLA501_1
(CYTOCHROME P450 2A6)		 4eut SERINE/THREONINE-PRO
TEIN KINASE TBK1
(Homo
sapiens) 		5 / 11 VAL A 280
ILE A 207
GLY A 208
LEU A 277
PHE A 112
 None
 0.92A 3t3rA-4eutA:
undetectable		 3t3rA-4eutA:
22.00
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.
3UG2_A_IREA1_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 4eut SERINE/THREONINE-PRO
TEIN KINASE TBK1
(Homo
sapiens) 		7 / 12 LEU A  15
VAL A  23
ALA A  36
LYS A  38
LEU A  84
MET A  86
GLY A  92
 BX7  A 401 (-3.7A)
BX7  A 401 (-4.4A)
BX7  A 401 (-3.4A)
BX7  A 401 ( 4.0A)
None
BX7  A 401 (-4.5A)
BX7  A 401 (-3.5A)
 0.75A 3ug2A-4eutA:
15.0		 3ug2A-4eutA:
24.36
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.
3W1W_A_CHDA1502_0
(FERROCHELATASE,
MITOCHONDRIAL)		 4eut SERINE/THREONINE-PRO
TEIN KINASE TBK1
(Homo
sapiens) 		5 / 12 MET A 263
LEU A 277
LEU A 269
ILE A 284
SER A 268
 None
 0.97A 3w1wA-4eutA:
undetectable		 3w1wA-4eutA:
21.90
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.
3WAR_A_NIOA401_1
(CASEIN KINASE II
SUBUNIT ALPHA)		 4eut SERINE/THREONINE-PRO
TEIN KINASE TBK1
(Homo
sapiens) 		4 / 8 VAL A  23
LYS A  38
MET A 142
ASP A 157
 BX7  A 401 (-4.4A)
BX7  A 401 ( 4.0A)
BX7  A 401 (-3.9A)
BX7  A 401 ( 3.7A)
 0.72A 3warA-4eutA:
11.1		 3warA-4eutA:
24.71
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.
3WRH_E_CAME503_0
(CAMPHOR
5-MONOOXYGENASE)		 4eut SERINE/THREONINE-PRO
TEIN KINASE TBK1
(Homo
sapiens) 		4 / 6 PHE A 112
LEU A 281
VAL A 280
VAL A 119
 None
 1.08A 3wrhE-4eutA:
undetectable		 3wrhE-4eutA:
22.08
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.
3WRJ_E_CAME503_0
(CAMPHOR
5-MONOOXYGENASE)		 4eut SERINE/THREONINE-PRO
TEIN KINASE TBK1
(Homo
sapiens) 		4 / 6 PHE A 112
LEU A 281
VAL A 280
VAL A 119
 None
 1.11A 3wrjE-4eutA:
undetectable		 3wrjE-4eutA:
22.08
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.
3WZD_A_LEVA1201_1
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)		 4eut SERINE/THREONINE-PRO
TEIN KINASE TBK1
(Homo
sapiens) 		6 / 12 LEU A  15
VAL A  23
ALA A  36
GLU A  55
LEU A  59
CYH A  89
 BX7  A 401 (-3.7A)
BX7  A 401 (-4.4A)
BX7  A 401 (-3.4A)
None
None
BX7  A 401 (-4.1A)
 0.59A 3wzdA-4eutA:
12.8		 3wzdA-4eutA:
22.38
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.
3WZD_A_LEVA1201_1
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)		 4eut SERINE/THREONINE-PRO
TEIN KINASE TBK1
(Homo
sapiens) 		6 / 12 LEU A  15
VAL A  23
ALA A  36
LEU A  59
CYH A  89
GLY A  92
 BX7  A 401 (-3.7A)
BX7  A 401 (-4.4A)
BX7  A 401 (-3.4A)
None
BX7  A 401 (-4.1A)
BX7  A 401 (-3.5A)
 0.49A 3wzdA-4eutA:
12.8		 3wzdA-4eutA:
22.38
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.
3WZE_A_BAXA1201_1
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)		 4eut SERINE/THREONINE-PRO
TEIN KINASE TBK1
(Homo
sapiens) 		9 / 12 LEU A  15
VAL A  23
ALA A  36
LYS A  38
GLU A  55
LEU A  59
PHE A  88
LEU A 126
HIS A 133
 BX7  A 401 (-3.7A)
BX7  A 401 (-4.4A)
BX7  A 401 (-3.4A)
BX7  A 401 ( 4.0A)
None
None
BX7  A 401 ( 4.6A)
None
None
 0.59A 3wzeA-4eutA:
19.7		 3wzeA-4eutA:
22.38
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.
3WZE_A_BAXA1201_1
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)		 4eut SERINE/THREONINE-PRO
TEIN KINASE TBK1
(Homo
sapiens) 		9 / 12 LEU A  15
VAL A  23
ALA A  36
LYS A  38
LEU A  59
PHE A  88
GLY A  92
LEU A 126
HIS A 133
 BX7  A 401 (-3.7A)
BX7  A 401 (-4.4A)
BX7  A 401 (-3.4A)
BX7  A 401 ( 4.0A)
None
BX7  A 401 ( 4.6A)
BX7  A 401 (-3.5A)
None
None
 0.64A 3wzeA-4eutA:
19.7		 3wzeA-4eutA:
22.38
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.
3ZOS_A_0LIA1000_1
(EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1)		 4eut SERINE/THREONINE-PRO
TEIN KINASE TBK1
(Homo
sapiens) 		7 / 12 LEU A  15
ALA A  36
LYS A  38
GLU A  55
LEU A 126
HIS A 133
ARG A 134
 BX7  A 401 (-3.7A)
BX7  A 401 (-3.4A)
BX7  A 401 ( 4.0A)
None
None
None
None
 0.70A 3zosA-4eutA:
10.8		 3zosA-4eutA:
21.67
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.
4AG8_A_AXIA2000_1
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)		 4eut SERINE/THREONINE-PRO
TEIN KINASE TBK1
(Homo
sapiens) 		8 / 12 LEU A  15
VAL A  23
ALA A  36
LYS A  38
GLU A  55
VAL A  68
PHE A  88
GLY A  92
 BX7  A 401 (-3.7A)
BX7  A 401 (-4.4A)
BX7  A 401 (-3.4A)
BX7  A 401 ( 4.0A)
None
None
BX7  A 401 ( 4.6A)
BX7  A 401 (-3.5A)
 0.60A 4ag8A-4eutA:
19.7		 4ag8A-4eutA:
21.71
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.
4AGC_A_AXIA2000_1
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)		 4eut SERINE/THREONINE-PRO
TEIN KINASE TBK1
(Homo
sapiens) 		7 / 12 LEU A  15
VAL A  23
ALA A  36
LYS A  38
GLU A  55
LEU A  59
GLY A  92
 BX7  A 401 (-3.7A)
BX7  A 401 (-4.4A)
BX7  A 401 (-3.4A)
BX7  A 401 ( 4.0A)
None
None
BX7  A 401 (-3.5A)
 0.51A 4agcA-4eutA:
19.3		 4agcA-4eutA:
22.09
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.
4AGD_A_B49A2000_1
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)		 4eut SERINE/THREONINE-PRO
TEIN KINASE TBK1
(Homo
sapiens) 		6 / 11 LEU A  15
ALA A  36
VAL A  68
PHE A  88
CYH A  89
GLY A  92
 BX7  A 401 (-3.7A)
BX7  A 401 (-3.4A)
None
BX7  A 401 ( 4.6A)
BX7  A 401 (-4.1A)
BX7  A 401 (-3.5A)
 0.40A 4agdA-4eutA:
12.0		 4agdA-4eutA:
22.09
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.
4ASD_A_BAXA1500_1
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)		 4eut SERINE/THREONINE-PRO
TEIN KINASE TBK1
(Homo
sapiens) 		10 / 12 LEU A  15
VAL A  23
ALA A  36
LYS A  38
GLU A  55
LEU A  59
PHE A  88
GLY A  92
LEU A 126
HIS A 133
 BX7  A 401 (-3.7A)
BX7  A 401 (-4.4A)
BX7  A 401 (-3.4A)
BX7  A 401 ( 4.0A)
None
None
BX7  A 401 ( 4.6A)
BX7  A 401 (-3.5A)
None
None
 0.68A 4asdA-4eutA:
19.4		 4asdA-4eutA:
22.09
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.
4EK1_A_CAMA502_0
(CAMPHOR
5-MONOOXYGENASE)		 4eut SERINE/THREONINE-PRO
TEIN KINASE TBK1
(Homo
sapiens) 		4 / 6 PHE A 112
LEU A 281
VAL A 280
VAL A 119
 None
 1.08A 4ek1A-4eutA:
undetectable		 4ek1A-4eutA:
20.78
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.
4G3R_A_CAMA502_0
(CAMPHOR
5-MONOOXYGENASE)		 4eut SERINE/THREONINE-PRO
TEIN KINASE TBK1
(Homo
sapiens) 		4 / 6 PHE A 112
LEU A 281
VAL A 280
VAL A 119
 None
 1.11A 4g3rA-4eutA:
undetectable		 4g3rA-4eutA:
20.56
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.
4G3R_B_CAMB502_0
(CAMPHOR
5-MONOOXYGENASE)		 4eut SERINE/THREONINE-PRO
TEIN KINASE TBK1
(Homo
sapiens) 		4 / 6 PHE A 112
LEU A 281
VAL A 280
VAL A 119
 None
 1.15A 4g3rB-4eutA:
undetectable		 4g3rB-4eutA:
20.56
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.
4I22_A_IREA9001_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 4eut SERINE/THREONINE-PRO
TEIN KINASE TBK1
(Homo
sapiens) 		8 / 12 LEU A  15
VAL A  23
ALA A  36
LYS A  38
LEU A  84
MET A  86
GLY A  92
THR A 156
 BX7  A 401 (-3.7A)
BX7  A 401 (-4.4A)
BX7  A 401 (-3.4A)
BX7  A 401 ( 4.0A)
None
BX7  A 401 (-4.5A)
BX7  A 401 (-3.5A)
IOD  A 402 ( 3.4A)
 0.79A 4i22A-4eutA:
19.1		 4i22A-4eutA:
25.00
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.
4KLR_B_CHDB503_0
(FERROCHELATASE,
MITOCHONDRIAL)		 4eut SERINE/THREONINE-PRO
TEIN KINASE TBK1
(Homo
sapiens) 		4 / 8 LEU A 277
PRO A 220
SER A 247
GLY A 217
 None
 1.01A 4klrB-4eutA:
undetectable		 4klrB-4eutA:
22.72
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.
4L49_A_CAMA502_0
(CAMPHOR
5-MONOOXYGENASE)		 4eut SERINE/THREONINE-PRO
TEIN KINASE TBK1
(Homo
sapiens) 		4 / 5 PHE A 112
LEU A 281
VAL A 280
VAL A 119
 None
 1.09A 4l49A-4eutA:
undetectable		 4l49A-4eutA:
20.65
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.
4L4C_A_CAMA502_0
(CAMPHOR
5-MONOOXYGENASE)		 4eut SERINE/THREONINE-PRO
TEIN KINASE TBK1
(Homo
sapiens) 		4 / 6 PHE A 112
LEU A 281
VAL A 280
VAL A 119
 None
 1.10A 4l4cA-4eutA:
undetectable		 4l4cA-4eutA:
22.15
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.
4L4F_A_CAMA503_0
(CAMPHOR
5-MONOOXYGENASE)		 4eut SERINE/THREONINE-PRO
TEIN KINASE TBK1
(Homo
sapiens) 		4 / 8 THR A 302
LEU A 281
VAL A 280
VAL A 119
 None
 1.15A 4l4fA-4eutA:
undetectable		 4l4fA-4eutA:
21.08
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.
4OGR_E_ADNE401_1
(CYCLIN-DEPENDENT
KINASE 9)		 4eut SERINE/THREONINE-PRO
TEIN KINASE TBK1
(Homo
sapiens) 		5 / 7 GLY A  16
ALA A  36
CYH A  89
ASN A 140
ASP A 157
 BX7  A 401 ( 3.7A)
BX7  A 401 (-3.4A)
BX7  A 401 (-4.1A)
None
BX7  A 401 ( 3.7A)
 0.53A 4ogrE-4eutA:
14.6		 4ogrE-4eutA:
25.77
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.
4PBH_A_BEZA401_0
(TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT, PUTATIVE)		 4eut SERINE/THREONINE-PRO
TEIN KINASE TBK1
(Homo
sapiens) 		5 / 12 ILE A 379
HIS A 336
ALA A 332
ARG A 365
LEU A 359
 None
 1.31A 4pbhA-4eutA:
undetectable		 4pbhA-4eutA:
21.40
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.
4RZV_B_032B801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 4eut SERINE/THREONINE-PRO
TEIN KINASE TBK1
(Homo
sapiens) 		5 / 12 VAL A  23
ALA A  36
LYS A  38
CYH A  89
PHE A 158
 BX7  A 401 (-4.4A)
BX7  A 401 (-3.4A)
BX7  A 401 ( 4.0A)
BX7  A 401 (-4.1A)
None
 0.85A 4rzvB-4eutA:
20.0		 4rzvB-4eutA:
23.94
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.
4TWP_A_AXIA601_1
(TYROSINE-PROTEIN
KINASE ABL1)		 4eut SERINE/THREONINE-PRO
TEIN KINASE TBK1
(Homo
sapiens) 		8 / 12 LEU A  15
VAL A  23
ALA A  36
LYS A  38
PHE A  88
GLY A  92
ASN A 140
ASP A 157
 BX7  A 401 (-3.7A)
BX7  A 401 (-4.4A)
BX7  A 401 (-3.4A)
BX7  A 401 ( 4.0A)
BX7  A 401 ( 4.6A)
BX7  A 401 (-3.5A)
None
BX7  A 401 ( 3.7A)
 0.68A 4twpA-4eutA:
21.1		 4twpA-4eutA:
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.
4TWP_B_AXIB601_1
(TYROSINE-PROTEIN
KINASE ABL1)		 4eut SERINE/THREONINE-PRO
TEIN KINASE TBK1
(Homo
sapiens) 		8 / 12 LEU A  15
VAL A  23
ALA A  36
LYS A  38
PHE A  88
GLY A  92
ASN A 140
ASP A 157
 BX7  A 401 (-3.7A)
BX7  A 401 (-4.4A)
BX7  A 401 (-3.4A)
BX7  A 401 ( 4.0A)
BX7  A 401 ( 4.6A)
BX7  A 401 (-3.5A)
None
BX7  A 401 ( 3.7A)
 0.79A 4twpB-4eutA:
14.1		 4twpB-4eutA:
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.
4U0I_A_0LIA1001_1
(MAST/STEM CELL
GROWTH FACTOR
RECEPTOR
KIT,MAST/STEM CELL
GROWTH FACTOR
RECEPTOR KIT)		 4eut SERINE/THREONINE-PRO
TEIN KINASE TBK1
(Homo
sapiens) 		6 / 10 LEU A  15
VAL A  23
LEU A  62
ILE A  67
VAL A  68
ARG A 134
 BX7  A 401 (-3.7A)
BX7  A 401 (-4.4A)
None
None
None
None
 0.88A 4u0iA-4eutA:
19.2		 4u0iA-4eutA:
23.68
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.
4U0I_A_0LIA1001_2
(MAST/STEM CELL
GROWTH FACTOR
RECEPTOR
KIT,MAST/STEM CELL
GROWTH FACTOR
RECEPTOR KIT)		 4eut SERINE/THREONINE-PRO
TEIN KINASE TBK1
(Homo
sapiens) 		6 / 12 ALA A  36
LYS A  38
LEU A  59
CYH A  89
GLY A  92
HIS A 133
 BX7  A 401 (-3.4A)
BX7  A 401 ( 4.0A)
None
BX7  A 401 (-4.1A)
BX7  A 401 (-3.5A)
None
 0.64A 4u0iA-4eutA:
19.3		 4u0iA-4eutA:
23.68
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.
4XV2_A_P06A801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 4eut SERINE/THREONINE-PRO
TEIN KINASE TBK1
(Homo
sapiens) 		6 / 12 VAL A  23
ALA A  36
LYS A  38
CYH A  89
ASP A 157
PHE A 158
 BX7  A 401 (-4.4A)
BX7  A 401 (-3.4A)
BX7  A 401 ( 4.0A)
BX7  A 401 (-4.1A)
BX7  A 401 ( 3.7A)
None
 0.56A 4xv2A-4eutA:
13.8		 4xv2A-4eutA:
24.51
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.
4XV2_B_P06B801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 4eut SERINE/THREONINE-PRO
TEIN KINASE TBK1
(Homo
sapiens) 		6 / 12 ALA A  36
LYS A  38
LEU A  59
CYH A  89
ASP A 157
PHE A 158
 BX7  A 401 (-3.4A)
BX7  A 401 ( 4.0A)
None
BX7  A 401 (-4.1A)
BX7  A 401 ( 3.7A)
None
 0.66A 4xv2B-4eutA:
21.1		 4xv2B-4eutA:
24.51
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.
4ZOW_A_CLMA500_0
(MULTIDRUG
TRANSPORTER MDFA)		 4eut SERINE/THREONINE-PRO
TEIN KINASE TBK1
(Homo
sapiens) 		6 / 11 LEU A 277
LEU A 269
LEU A 219
LEU A 285
LEU A 281
ILE A 246
 None
 1.36A 4zowA-4eutA:
undetectable		 4zowA-4eutA:
21.66
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.
5AJQ_A_DB8A800_1
(SERINE/THREONINE-PRO
TEIN KINASE 10)		 4eut SERINE/THREONINE-PRO
TEIN KINASE TBK1
(Homo
sapiens) 		6 / 12 LEU A  15
ALA A  36
LYS A  38
PHE A  88
CYH A  89
GLY A  92
 BX7  A 401 (-3.7A)
BX7  A 401 (-3.4A)
BX7  A 401 ( 4.0A)
BX7  A 401 ( 4.6A)
BX7  A 401 (-4.1A)
BX7  A 401 (-3.5A)
 0.83A 5ajqA-4eutA:
20.3		 5ajqA-4eutA:
26.70
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.
5CSW_A_P06A801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 4eut SERINE/THREONINE-PRO
TEIN KINASE TBK1
(Homo
sapiens) 		6 / 12 VAL A  23
ALA A  36
LYS A  38
LEU A  59
CYH A  89
PHE A 158
 BX7  A 401 (-4.4A)
BX7  A 401 (-3.4A)
BX7  A 401 ( 4.0A)
None
BX7  A 401 (-4.1A)
None
 0.68A 5cswA-4eutA:
20.7		 5cswA-4eutA:
24.13
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.
5CSW_B_P06B801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 4eut SERINE/THREONINE-PRO
TEIN KINASE TBK1
(Homo
sapiens) 		6 / 12 VAL A  23
ALA A  36
LYS A  38
LEU A  59
CYH A  89
PHE A 158
 BX7  A 401 (-4.4A)
BX7  A 401 (-3.4A)
BX7  A 401 ( 4.0A)
None
BX7  A 401 (-4.1A)
None
 0.80A 5cswB-4eutA:
13.9		 5cswB-4eutA:
24.13
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.
5HI2_A_BAXA801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 4eut SERINE/THREONINE-PRO
TEIN KINASE TBK1
(Homo
sapiens) 		6 / 12 ALA A  36
GLU A  55
LEU A  59
CYH A  89
LEU A 126
HIS A 133
 BX7  A 401 (-3.4A)
None
None
BX7  A 401 (-4.1A)
None
None
 0.73A 5hi2A-4eutA:
20.8		 5hi2A-4eutA:
24.94
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.
5HI2_A_BAXA801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 4eut SERINE/THREONINE-PRO
TEIN KINASE TBK1
(Homo
sapiens) 		6 / 12 ALA A  36
LYS A  38
GLU A  55
LEU A  59
CYH A  89
LEU A 126
 BX7  A 401 (-3.4A)
BX7  A 401 ( 4.0A)
None
None
BX7  A 401 (-4.1A)
None
 0.66A 5hi2A-4eutA:
20.8		 5hi2A-4eutA:
24.94
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.
5IZJ_G_AZ1G2_1
(CAMP-DEPENDENT
PROTEIN KINASE
CATALYTIC SUBUNIT
ALPHA
47P-AZ1-DAR-DAR)		 4eut SERINE/THREONINE-PRO
TEIN KINASE TBK1
(Homo
sapiens) 		4 / 7 GLY A  16
GLY A  18
VAL A  23
LYS A  38
 BX7  A 401 ( 3.7A)
BX7  A 401 (-3.5A)
BX7  A 401 (-4.4A)
BX7  A 401 ( 4.0A)
 0.38A 5izjA-4eutA:
12.7		 5izjA-4eutA:
26.47
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.
5JNA_B_TORB302_1
(CARBONIC ANHYDRASE 4)		 4eut SERINE/THREONINE-PRO
TEIN KINASE TBK1
(Homo
sapiens) 		5 / 12 SER A   1
VAL A  39
VAL A  83
THR A  77
THR A  78
 None
 1.28A 5jnaB-4eutA:
undetectable		 5jnaB-4eutA:
21.38
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.
5JNA_C_TORC302_1
(CARBONIC ANHYDRASE 4)		 4eut SERINE/THREONINE-PRO
TEIN KINASE TBK1
(Homo
sapiens) 		5 / 11 SER A   1
VAL A  39
VAL A  83
THR A  77
THR A  78
 None
 1.27A 5jnaC-4eutA:
undetectable		 5jnaC-4eutA:
21.38
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.
5JNA_D_TORD302_1
(CARBONIC ANHYDRASE 4)		 4eut SERINE/THREONINE-PRO
TEIN KINASE TBK1
(Homo
sapiens) 		5 / 12 SER A   1
VAL A  39
VAL A  83
THR A  77
THR A  78
 None
 1.29A 5jnaD-4eutA:
undetectable		 5jnaD-4eutA:
21.38
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.
5KKZ_E_ASCE1004_0
(CYTOCHROME B
UBIQUINOL-CYTOCHROME
C REDUCTASE
IRON-SULFUR SUBUNIT)		 4eut SERINE/THREONINE-PRO
TEIN KINASE TBK1
(Homo
sapiens) 		4 / 7 HIS A 133
ILE A 131
VAL A 132
ARG A  54
 None
 1.22A 5kkzC-4eutA:
undetectable
5kkzE-4eutA:
undetectable		 5kkzC-4eutA:
18.59
5kkzE-4eutA:
23.42
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.
5KKZ_K_ASCK1004_0
(CYTOCHROME B
UBIQUINOL-CYTOCHROME
C REDUCTASE
IRON-SULFUR SUBUNIT)		 4eut SERINE/THREONINE-PRO
TEIN KINASE TBK1
(Homo
sapiens) 		4 / 7 HIS A 133
ILE A 131
VAL A 132
ARG A  54
 None
 1.17A 5kkzK-4eutA:
2.1
5kkzQ-4eutA:
undetectable		 5kkzK-4eutA:
23.42
5kkzQ-4eutA:
18.59
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.
5KQY_B_017B101_2
(PROTEASE E35D-DRV)		 4eut SERINE/THREONINE-PRO
TEIN KINASE TBK1
(Homo
sapiens) 		4 / 7 GLY A 199
ALA A 200
ASP A 203
GLY A 130
 None
 0.52A 5kqyB-4eutA:
undetectable		 5kqyB-4eutA:
15.45
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.
5KR1_B_017B101_2
(PROTEASE PR5-DRV)		 4eut SERINE/THREONINE-PRO
TEIN KINASE TBK1
(Homo
sapiens) 		4 / 8 GLY A 199
ALA A 200
ASP A 203
GLY A 130
 None
 0.57A 5kr1B-4eutA:
undetectable		 5kr1B-4eutA:
14.25
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.
5L2I_A_LQQA900_1
(CYCLIN-DEPENDENT
KINASE 6)		 4eut SERINE/THREONINE-PRO
TEIN KINASE TBK1
(Homo
sapiens) 		6 / 12 GLY A  16
VAL A  23
ALA A  36
VAL A  68
THR A  96
ASP A 157
 BX7  A 401 ( 3.7A)
BX7  A 401 (-4.4A)
BX7  A 401 (-3.4A)
None
BX7  A 401 ( 4.7A)
BX7  A 401 ( 3.7A)
 0.74A 5l2iA-4eutA:
20.4		 5l2iA-4eutA:
26.89
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.
5MO4_A_NILA601_1
(TYROSINE-PROTEIN
KINASE ABL1)		 4eut SERINE/THREONINE-PRO
TEIN KINASE TBK1
(Homo
sapiens) 		6 / 10 LEU A  15
VAL A  23
LYS A  38
GLU A  55
PHE A  88
GLY A  92
 BX7  A 401 (-3.7A)
BX7  A 401 (-4.4A)
BX7  A 401 ( 4.0A)
None
BX7  A 401 ( 4.6A)
BX7  A 401 (-3.5A)
 0.63A 5mo4A-4eutA:
16.3		 5mo4A-4eutA:
22.53
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.
5N3H_A_NCAA401_0
(CAMP-DEPENDENT
PROTEIN KINASE
CATALYTIC SUBUNIT
ALPHA)		 4eut SERINE/THREONINE-PRO
TEIN KINASE TBK1
(Homo
sapiens) 		6 / 10 LEU A  15
VAL A  23
ALA A  36
VAL A  68
MET A  86
THR A 156
 BX7  A 401 (-3.7A)
BX7  A 401 (-4.4A)
BX7  A 401 (-3.4A)
None
BX7  A 401 (-4.5A)
IOD  A 402 ( 3.4A)
 0.73A 5n3hA-4eutA:
14.2		 5n3hA-4eutA:
26.47
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.
5OWR_A_1N1A401_1
(SERINE/THREONINE-PRO
TEIN KINASE 10)		 4eut SERINE/THREONINE-PRO
TEIN KINASE TBK1
(Homo
sapiens) 		4 / 8 ALA A  36
GLU A  55
CYH A  89
ASP A 157
 BX7  A 401 (-3.4A)
None
BX7  A 401 (-4.1A)
BX7  A 401 ( 3.7A)
 0.47A 5owrA-4eutA:
16.2		 5owrA-4eutA:
26.93
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.
5TE0_A_XINA401_2
(AP2-ASSOCIATED
PROTEIN KINASE 1)		 4eut SERINE/THREONINE-PRO
TEIN KINASE TBK1
(Homo
sapiens) 		4 / 5 LEU A  15
VAL A  23
MET A  86
CYH A  89
 BX7  A 401 (-3.7A)
BX7  A 401 (-4.4A)
BX7  A 401 (-4.5A)
BX7  A 401 (-4.1A)
 0.83A 5te0A-4eutA:
21.6		 5te0A-4eutA:
24.64
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.
5VCV_A_1N1A404_1
(MEMBRANE-ASSOCIATED
TYROSINE- AND
THREONINE-SPECIFIC
CDC2-INHIBITORY
KINASE)		 4eut SERINE/THREONINE-PRO
TEIN KINASE TBK1
(Homo
sapiens) 		7 / 12 LEU A  15
ALA A  36
LYS A  38
GLU A  55
VAL A  68
LEU A  84
GLY A  92
 BX7  A 401 (-3.7A)
BX7  A 401 (-3.4A)
BX7  A 401 ( 4.0A)
None
None
None
BX7  A 401 (-3.5A)
 0.94A 5vcvA-4eutA:
20.9		 5vcvA-4eutA:
23.37
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.
5VCY_A_DB8A401_1
(MEMBRANE-ASSOCIATED
TYROSINE- AND
THREONINE-SPECIFIC
CDC2-INHIBITORY
KINASE)		 4eut SERINE/THREONINE-PRO
TEIN KINASE TBK1
(Homo
sapiens) 		8 / 12 LEU A  15
VAL A  23
ALA A  36
LYS A  38
GLU A  55
LEU A  84
CYH A  89
GLY A  92
 BX7  A 401 (-3.7A)
BX7  A 401 (-4.4A)
BX7  A 401 (-3.4A)
BX7  A 401 ( 4.0A)
None
None
BX7  A 401 (-4.1A)
BX7  A 401 (-3.5A)
 1.12A 5vcyA-4eutA:
20.7		 5vcyA-4eutA:
23.37
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.
5VKQ_A_PCFA1803_0
(NO MECHANORECEPTOR
POTENTIAL C ISOFORM
L)		 4eut SERINE/THREONINE-PRO
TEIN KINASE TBK1
(Homo
sapiens) 		5 / 10 ILE A 207
ILE A 284
LEU A 285
ILE A 141
ASN A 140
 None
 1.19A 5vkqA-4eutA:
undetectable
5vkqD-4eutA:
undetectable		 5vkqA-4eutA:
11.71
5vkqD-4eutA:
11.71
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.
5VKQ_B_PCFB1808_0
(NO MECHANORECEPTOR
POTENTIAL C ISOFORM
L)		 4eut SERINE/THREONINE-PRO
TEIN KINASE TBK1
(Homo
sapiens) 		5 / 10 ILE A 141
ASN A 140
ILE A 207
ILE A 284
LEU A 285
 None
 1.24A 5vkqA-4eutA:
undetectable
5vkqB-4eutA:
undetectable		 5vkqA-4eutA:
11.71
5vkqB-4eutA:
11.71
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.
5VKQ_D_PCFD1801_0
(NO MECHANORECEPTOR
POTENTIAL C ISOFORM
L)		 4eut SERINE/THREONINE-PRO
TEIN KINASE TBK1
(Homo
sapiens) 		5 / 10 ILE A 141
ASN A 140
ILE A 207
ILE A 284
LEU A 285
 None
 1.20A 5vkqC-4eutA:
undetectable
5vkqD-4eutA:
undetectable		 5vkqC-4eutA:
11.71
5vkqD-4eutA:
11.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5W5V_A_ANWA701_0
(SERINE/THREONINE-PRO
TEIN KINASE TBK1)		 4eut SERINE/THREONINE-PRO
TEIN KINASE TBK1
(Homo
sapiens) 		9 / 9 LEU A  15
ALA A  36
VAL A  68
MET A  86
CYH A  89
GLY A  92
THR A  96
MET A 142
THR A 156
 BX7  A 401 (-3.7A)
BX7  A 401 (-3.4A)
None
BX7  A 401 (-4.5A)
BX7  A 401 (-4.1A)
BX7  A 401 (-3.5A)
BX7  A 401 ( 4.7A)
BX7  A 401 (-3.9A)
IOD  A 402 ( 3.4A)
 0.58A 5w5vA-4eutA:
27.5		 5w5vA-4eutA:
70.88
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.
5Y7Z_A_IREA401_0
(CYCLIN-G-ASSOCIATED
KINASE)		 4eut SERINE/THREONINE-PRO
TEIN KINASE TBK1
(Homo
sapiens) 		7 / 12 LEU A  15
VAL A  23
ALA A  36
LYS A  38
GLU A  55
CYH A  89
GLY A  92
 BX7  A 401 (-3.7A)
BX7  A 401 (-4.4A)
BX7  A 401 (-3.4A)
BX7  A 401 ( 4.0A)
None
BX7  A 401 (-4.1A)
BX7  A 401 (-3.5A)
 0.72A 5y7zA-4eutA:
20.5		 5y7zA-4eutA:
12.44
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.
5Y7Z_A_IREA401_0
(CYCLIN-G-ASSOCIATED
KINASE)		 4eut SERINE/THREONINE-PRO
TEIN KINASE TBK1
(Homo
sapiens) 		7 / 12 LEU A  15
VAL A  23
ALA A  36
LYS A  38
GLU A  55
CYH A  89
GLY A  92
 BX7  A 401 (-3.7A)
BX7  A 401 (-4.4A)
BX7  A 401 (-3.4A)
BX7  A 401 ( 4.0A)
None
BX7  A 401 (-4.1A)
BX7  A 401 (-3.5A)
 0.72A 5y7zA-4eutA:
20.5		 5y7zA-4eutA:
23.89
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.
5Y7Z_B_IREB401_0
(CYCLIN-G-ASSOCIATED
KINASE)		 4eut SERINE/THREONINE-PRO
TEIN KINASE TBK1
(Homo
sapiens) 		8 / 12 LEU A  15
ALA A  36
LYS A  38
GLU A  55
LEU A  84
CYH A  89
GLY A  92
ASP A 157
 BX7  A 401 (-3.7A)
BX7  A 401 (-3.4A)
BX7  A 401 ( 4.0A)
None
None
BX7  A 401 (-4.1A)
BX7  A 401 (-3.5A)
BX7  A 401 ( 3.7A)
 0.85A 5y7zB-4eutA:
20.6		 5y7zB-4eutA:
12.44
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.
5Y80_A_IREA401_0
(CYCLIN-G-ASSOCIATED
KINASE)		 4eut SERINE/THREONINE-PRO
TEIN KINASE TBK1
(Homo
sapiens) 		8 / 12 LEU A  15
VAL A  23
ALA A  36
LYS A  38
GLU A  55
CYH A  89
GLY A  92
ASP A 157
 BX7  A 401 (-3.7A)
BX7  A 401 (-4.4A)
BX7  A 401 (-3.4A)
BX7  A 401 ( 4.0A)
None
BX7  A 401 (-4.1A)
BX7  A 401 (-3.5A)
BX7  A 401 ( 3.7A)
 0.72A 5y80A-4eutA:
20.6		 5y80A-4eutA:
12.44
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.
5ZV2_B_LEVB801_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1)		 4eut SERINE/THREONINE-PRO
TEIN KINASE TBK1
(Homo
sapiens) 		6 / 12 LEU A  15
VAL A  23
ALA A  36
LYS A  38
GLU A  55
GLY A  92
 BX7  A 401 (-3.7A)
BX7  A 401 (-4.4A)
BX7  A 401 (-3.4A)
BX7  A 401 ( 4.0A)
None
BX7  A 401 (-3.5A)
 0.34A 5zv2B-4eutA:
19.1		 5zv2B-4eutA:
17.19
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.
6AJI_A_AY6A1001_0
(DRUG EXPORTERS OF
THE RND
SUPERFAMILY-LIKE
PROTEIN,ENDOLYSIN)		 4eut SERINE/THREONINE-PRO
TEIN KINASE TBK1
(Homo
sapiens) 		5 / 12 ILE A 207
ILE A 141
VAL A 115
LEU A 116
PHE A 299
 None
 0.84A 6ajiA-4eutA:
0.5		 6ajiA-4eutA:
17.74
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.
6HD4_B_STIB602_1
(TYROSINE-PROTEIN
KINASE ABL1)		 4eut SERINE/THREONINE-PRO
TEIN KINASE TBK1
(Homo
sapiens) 		4 / 6 LEU A  15
VAL A  58
PHE A  88
GLY A  92
 BX7  A 401 (-3.7A)
None
BX7  A 401 ( 4.6A)
BX7  A 401 (-3.5A)
 0.57A 6hd4B-4eutA:
18.6		 6hd4B-4eutA:
14.63
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.
6HD6_B_STIB601_0
(TYROSINE-PROTEIN
KINASE ABL1)		 4eut SERINE/THREONINE-PRO
TEIN KINASE TBK1
(Homo
sapiens) 		7 / 12 LEU A  15
VAL A  23
ALA A  36
LYS A  38
GLU A  55
VAL A  68
PHE A  88
 BX7  A 401 (-3.7A)
BX7  A 401 (-4.4A)
BX7  A 401 (-3.4A)
BX7  A 401 ( 4.0A)
None
None
BX7  A 401 ( 4.6A)
 0.78A 6hd6B-4eutA:
18.3		 6hd6B-4eutA:
14.63
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.
6HU9_E_PCFE202_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 5A,
MITOCHONDRIAL
CYTOCHROME C OXIDASE
SUBUNIT 1)		 4eut SERINE/THREONINE-PRO
TEIN KINASE TBK1
(Homo
sapiens) 		4 / 8 GLN A 195
ALA A 188
VAL A 189
ARG A 187
 None
 1.06A 6hu9a-4eutA:
2.5
6hu9e-4eutA:
undetectable		 6hu9a-4eutA:
21.50
6hu9e-4eutA:
15.91