SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'DIO'


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.
1CMC_B_SAMB105_0
(MET REPRESSOR)		 2fwv HYPOTHETICAL PROTEIN
MTUBF_01000852
(Mycobacterium
tuberculosis) 		5 / 10 GLU A 157
ARG A 190
LEU A 149
GLU A 126
GLY A 182
 None
DIO  A 501 (-3.7A)
None
DIO  A 501 (-3.2A)
None
 1.16A 1cmcA-2fwvA:
undetectable
1cmcB-2fwvA:
undetectable		 1cmcA-2fwvA:
18.85
1cmcB-2fwvA:
18.85
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.
1DRE_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 1v93 5,10-METHYLENETETRAH
YDROFOLATE REDUCTASE
(Thermus
thermophilus) 		5 / 12 ASP A 162
LEU A 163
PHE A 166
LYS A 167
ILE A 204
 FAD  A 300 ( 4.9A)
DIO  A 304 ( 4.5A)
None
DIO  A 304 ( 4.6A)
None
 1.24A 1dreA-1v93A:
undetectable		 1dreA-1v93A:
18.24
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.
1GSE_B_EAAB224_1
(GLUTATHIONE
TRANSFERASE)		 2hjs USG-1 PROTEIN
HOMOLOG
(Pseudomonas
aeruginosa) 		5 / 12 GLY A 319
LEU A 326
VAL A 325
LEU A  20
ALA A  19
 None
DIO  A 408 ( 4.8A)
None
None
None
 0.95A 1gseB-2hjsA:
2.5		 1gseB-2hjsA:
18.82
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.
1HXB_A_ROCA100_4
(HIV-1 PROTEASE)		 5nit GLUCOSE OXIDASE
(Aspergillus
niger) 		4 / 4 GLY A 346
ASP A 416
GLY A 108
THR A 112
 None
DIO  A 618 (-3.8A)
FAD  A 601 (-3.3A)
None
 1.07A 1hxbB-5nitA:
undetectable		 1hxbB-5nitA:
9.73
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.
1I9G_A_SAMA301_0
(HYPOTHETICAL PROTEIN
RV2118C)		 2hjs USG-1 PROTEIN
HOMOLOG
(Pseudomonas
aeruginosa) 		6 / 12 GLY A  11
GLY A  14
SER A  15
ALA A  19
LEU A  20
ASP A  58
 None
DIO  A 407 (-3.5A)
DIO  A 407 ( 3.0A)
None
None
None
 1.08A 1i9gA-2hjsA:
4.3		 1i9gA-2hjsA:
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.
1JOL_A_FFOA161_0
(DIHYDROFOLATE
REDUCTASE)		 1v93 5,10-METHYLENETETRAH
YDROFOLATE REDUCTASE
(Thermus
thermophilus) 		5 / 12 ASP A 162
LEU A 163
PHE A 166
LYS A 167
ILE A 204
 FAD  A 300 ( 4.9A)
DIO  A 304 ( 4.5A)
None
DIO  A 304 ( 4.6A)
None
 1.19A 1jolA-1v93A:
undetectable		 1jolA-1v93A:
18.24
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.
1PJ7_A_FFOA2887_0
(N,N-DIMETHYLGLYCINE
OXIDASE)		 3acc HYPOXANTHINE-GUANINE
PHOSPHORIBOSYLTRANSF
ERASE
(Thermus
thermophilus) 		5 / 12 MET A  52
LEU A  55
TYR A  34
GLY A  27
LEU A  63
 None
None
DIO  A 991 (-3.8A)
None
None
 0.91A 1pj7A-3accA:
undetectable		 1pj7A-3accA:
12.58
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.
1RH3_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 1v93 5,10-METHYLENETETRAH
YDROFOLATE REDUCTASE
(Thermus
thermophilus) 		5 / 12 ASP A 162
LEU A 163
PHE A 166
LYS A 167
ILE A 204
 FAD  A 300 ( 4.9A)
DIO  A 304 ( 4.5A)
None
DIO  A 304 ( 4.6A)
None
 1.25A 1rh3A-1v93A:
undetectable		 1rh3A-1v93A:
18.24
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.
1TDR_A_MTXA170_1
(TELLUROMETHIONYL
DIHYDROFOLATE
REDUCTASE)		 1v93 5,10-METHYLENETETRAH
YDROFOLATE REDUCTASE
(Thermus
thermophilus) 		5 / 12 ASP A 162
LEU A 163
PHE A 166
LYS A 167
ILE A 204
 FAD  A 300 ( 4.9A)
DIO  A 304 ( 4.5A)
None
DIO  A 304 ( 4.6A)
None
 1.03A 1tdrA-1v93A:
undetectable		 1tdrA-1v93A:
18.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1UWJ_A_BAXA1723_1
(B-RAF PROTO-ONCOGENE
SERINE/THREONINE-PRO
TEIN KINASE)		 5l6o EPHRIN TYPE-B
RECEPTOR 3
(Homo
sapiens) 		5 / 12 VAL A 647
ALA A 663
THR A 711
LEU A 749
HIS A 756
 None
6P6  A1001 (-3.3A)
6P6  A1001 (-3.5A)
None
DIO  A1002 (-4.1A)
 0.51A 1uwjA-5l6oA:
27.6		 1uwjA-5l6oA:
33.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1UWJ_B_BAXB1723_1
(B-RAF PROTO-ONCOGENE
SERINE/THREONINE-PRO
TEIN KINASE)		 5l6o EPHRIN TYPE-B
RECEPTOR 3
(Homo
sapiens) 		6 / 12 ILE A 639
VAL A 647
ALA A 663
THR A 711
LEU A 749
HIS A 756
 6P6  A1001 (-4.0A)
None
6P6  A1001 (-3.3A)
6P6  A1001 (-3.5A)
None
DIO  A1002 (-4.1A)
 0.62A 1uwjB-5l6oA:
8.3		 1uwjB-5l6oA:
33.11
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.
1Y0X_X_T44X500_2
(THYROID HORMONE
RECEPTOR BETA-1)		 4jkx BETA-GALACTOSIDE-SPE
CIFIC LECTIN 1 A
CHAIN
(Viscum
album) 		4 / 5 ILE A  70
SER A  29
ARG A  41
LEU A  75
 None
None
DIO  A 307 (-4.4A)
None
 0.92A 1y0xX-4jkxA:
undetectable		 1y0xX-4jkxA:
23.00
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.
1YA3_A_STRA1001_2
(MINERALOCORTICOID
RECEPTOR)		 1dc1 BSOBI RESTRICTION
ENDONUCLEASE
(Geobacillus
stearothermophil
us) 		4 / 4 LEU A  63
LEU A  98
SER A  94
LEU A  73
 None
None
DIO  A1008 (-3.3A)
None
 1.11A 1ya3A-1dc1A:
0.0		 1ya3A-1dc1A:
20.87
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.
2A1N_A_CAMA1422_0
(CYTOCHROME P450-CAM)		 2hjs USG-1 PROTEIN
HOMOLOG
(Pseudomonas
aeruginosa) 		5 / 11 VAL A  10
GLY A  11
THR A  13
ASP A  58
VAL A  56
 None
None
DIO  A 406 (-4.5A)
None
None
 1.08A 2a1nA-2hjsA:
undetectable		 2a1nA-2hjsA:
22.80
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.
2C6N_B_LPRB705_2
(ANGIOTENSIN-CONVERTI
NG ENZYME, SOMATIC
ISOFORM)		 1v93 5,10-METHYLENETETRAH
YDROFOLATE REDUCTASE
(Thermus
thermophilus) 		3 / 3 ALA A 279
THR A 212
PHE A 271
 None
None
DIO  A 301 (-4.9A)
 0.79A 2c6nB-1v93A:
undetectable		 2c6nB-1v93A:
21.59
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.
2VH3_A_DAHA2_1
(RANASMURFIN)		 5nit GLUCOSE OXIDASE
(Aspergillus
niger) 		5 / 9 ALA A 418
SER A 183
GLY A 342
SER A 422
ALA A 421
 None
None
DIO  A 620 ( 4.9A)
None
None
 1.28A 2vh3A-5nitA:
undetectable		 2vh3A-5nitA:
12.30
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.
2YVL_A_SAMA601_0
(HYPOTHETICAL PROTEIN)		 2hjs USG-1 PROTEIN
HOMOLOG
(Pseudomonas
aeruginosa) 		5 / 12 GLY A  11
GLY A  14
SER A  15
ALA A  19
LEU A  20
 None
DIO  A 407 (-3.5A)
DIO  A 407 ( 3.0A)
None
None
 0.80A 2yvlA-2hjsA:
3.0		 2yvlA-2hjsA:
19.89
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.
2ZAX_A_CAMA422_0
(CYTOCHROME P450-CAM)		 5ete PRY1P
(Saccharomyces
cerevisiae) 		4 / 7 PHE A 239
TYR A 237
VAL A 255
THR A 180
 None
DIO  A 301 (-4.1A)
None
None
 1.07A 2zaxA-5eteA:
undetectable		 2zaxA-5eteA:
15.88
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.
2ZUL_A_SAMA376_0
(PROBABLE RIBOSOMAL
RNA SMALL SUBUNIT
METHYLTRANSFERASE)		 2hjs USG-1 PROTEIN
HOMOLOG
(Pseudomonas
aeruginosa) 		5 / 12 GLY A  11
GLY A  14
ALA A  19
LEU A  20
VAL A  59
 None
DIO  A 407 (-3.5A)
None
None
None
 1.06A 2zulA-2hjsA:
4.2		 2zulA-2hjsA:
26.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3CS9_A_NILA600_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 5l6o EPHRIN TYPE-B
RECEPTOR 3
(Homo
sapiens) 		6 / 10 VAL A 647
LYS A 665
ILE A 709
PHE A 713
VAL A 774
ASP A 776
 None
None
6P6  A1001 ( 4.5A)
6P6  A1001 ( 4.5A)
DIO  A1002 (-4.9A)
None
 0.57A 3cs9A-5l6oA:
33.5		 3cs9A-5l6oA:
37.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3CS9_B_NILB600_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 5l6o EPHRIN TYPE-B
RECEPTOR 3
(Homo
sapiens) 		5 / 12 ALA A 663
MET A 686
THR A 711
HIS A 756
ASP A 776
 6P6  A1001 (-3.3A)
6P6  A1001 ( 4.2A)
6P6  A1001 (-3.5A)
DIO  A1002 (-4.1A)
None
 0.55A 3cs9B-5l6oA:
31.8		 3cs9B-5l6oA:
37.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3CS9_B_NILB600_2
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 5l6o EPHRIN TYPE-B
RECEPTOR 3
(Homo
sapiens) 		5 / 9 VAL A 647
LYS A 665
ILE A 709
LEU A 765
VAL A 774
 None
None
6P6  A1001 ( 4.5A)
6P6  A1001 (-4.5A)
DIO  A1002 (-4.9A)
 0.74A 3cs9B-5l6oA:
31.8		 3cs9B-5l6oA:
37.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3CS9_C_NILC600_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 5l6o EPHRIN TYPE-B
RECEPTOR 3
(Homo
sapiens) 		6 / 12 ALA A 663
MET A 686
THR A 711
PHE A 713
HIS A 756
ASP A 776
 6P6  A1001 (-3.3A)
6P6  A1001 ( 4.2A)
6P6  A1001 (-3.5A)
6P6  A1001 ( 4.5A)
DIO  A1002 (-4.1A)
None
 0.62A 3cs9C-5l6oA:
31.2		 3cs9C-5l6oA:
37.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3CS9_C_NILC600_2
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 5l6o EPHRIN TYPE-B
RECEPTOR 3
(Homo
sapiens) 		5 / 9 VAL A 647
LYS A 665
ILE A 709
MET A 714
VAL A 774
 None
None
6P6  A1001 ( 4.5A)
None
DIO  A1002 (-4.9A)
 0.62A 3cs9C-5l6oA:
31.2		 3cs9C-5l6oA:
37.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3CS9_D_NILD600_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 5l6o EPHRIN TYPE-B
RECEPTOR 3
(Homo
sapiens) 		5 / 12 ALA A 663
MET A 686
THR A 711
PHE A 713
HIS A 756
 6P6  A1001 (-3.3A)
6P6  A1001 ( 4.2A)
6P6  A1001 (-3.5A)
6P6  A1001 ( 4.5A)
DIO  A1002 (-4.1A)
 0.59A 3cs9D-5l6oA:
32.7		 3cs9D-5l6oA:
37.79
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.
3DMF_A_SAMA388_0
(PROBABLE RIBOSOMAL
RNA SMALL SUBUNIT
METHYLTRANSFERASE)		 2hjs USG-1 PROTEIN
HOMOLOG
(Pseudomonas
aeruginosa) 		5 / 12 GLY A  11
GLY A  14
ALA A  19
VAL A  59
VAL A  78
 None
DIO  A 407 (-3.5A)
None
None
None
 0.99A 3dmfA-2hjsA:
4.1		 3dmfA-2hjsA:
25.86
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.
3DMH_A_SAMA384_0
(PROBABLE RIBOSOMAL
RNA SMALL SUBUNIT
METHYLTRANSFERASE)		 2hjs USG-1 PROTEIN
HOMOLOG
(Pseudomonas
aeruginosa) 		6 / 12 GLY A  11
GLY A  14
ALA A  19
LEU A  20
VAL A  59
VAL A  78
 None
DIO  A 407 (-3.5A)
None
None
None
None
 1.10A 3dmhA-2hjsA:
4.2		 3dmhA-2hjsA:
25.86
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.
3GCS_A_BAXA401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE 14)		 5l6o EPHRIN TYPE-B
RECEPTOR 3
(Homo
sapiens) 		6 / 12 VAL A 647
ALA A 663
ILE A 695
THR A 711
HIS A 756
ASP A 776
 None
6P6  A1001 (-3.3A)
None
6P6  A1001 (-3.5A)
DIO  A1002 (-4.1A)
None
 1.03A 3gcsA-5l6oA:
20.5		 3gcsA-5l6oA:
25.58
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.
3GP0_A_NILA1_1
(MITOGEN-ACTIVATED
PROTEIN KINASE 11)		 5l6o EPHRIN TYPE-B
RECEPTOR 3
(Homo
sapiens) 		6 / 12 VAL A 647
ALA A 663
ILE A 695
THR A 711
HIS A 756
ASP A 776
 None
6P6  A1001 (-3.3A)
None
6P6  A1001 (-3.5A)
DIO  A1002 (-4.1A)
None
 0.62A 3gp0A-5l6oA:
22.1		 3gp0A-5l6oA:
25.40
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.
3K4V_D_ROCD201_2
(HIV-1 PROTEASE)		 5nit GLUCOSE OXIDASE
(Aspergillus
niger) 		4 / 4 GLY A 346
ASP A 416
GLY A 108
THR A 112
 None
DIO  A 618 (-3.8A)
FAD  A 601 (-3.3A)
None
 1.10A 3k4vC-5nitA:
undetectable		 3k4vC-5nitA:
10.27
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.
3LN1_C_CELC682_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		 3acc HYPOXANTHINE-GUANINE
PHOSPHORIBOSYLTRANSF
ERASE
(Thermus
thermophilus) 		4 / 7 ARG A  32
LEU A  55
ARG A 127
ILE A 144
 None
None
DIO  A 991 (-3.2A)
None
 1.09A 3ln1C-3accA:
undetectable		 3ln1C-3accA:
15.10
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.
3LN1_D_CELD682_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		 3acc HYPOXANTHINE-GUANINE
PHOSPHORIBOSYLTRANSF
ERASE
(Thermus
thermophilus) 		4 / 5 ARG A  32
LEU A  55
ARG A 127
ILE A 144
 None
None
DIO  A 991 (-3.2A)
None
 1.11A 3ln1D-3accA:
undetectable		 3ln1D-3accA:
15.10
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.
3NS1_L_PM6L1_1
(XANTHINE
DEHYDROGENASE/OXIDAS
E)		 2hjs USG-1 PROTEIN
HOMOLOG
(Pseudomonas
aeruginosa) 		4 / 8 SER A  42
THR A  13
ALA A  75
ALA A  74
 None
DIO  A 406 (-4.5A)
None
None
 0.90A 3ns1L-2hjsA:
undetectable		 3ns1L-2hjsA:
19.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3OXZ_A_0LIA1_2
(TYROSINE-PROTEIN
KINASE ABL1)		 5l6o EPHRIN TYPE-B
RECEPTOR 3
(Homo
sapiens) 		6 / 9 LYS A 665
ILE A 709
MET A 714
ARG A 757
LEU A 765
VAL A 774
 None
6P6  A1001 ( 4.5A)
None
None
6P6  A1001 (-4.5A)
DIO  A1002 (-4.9A)
 0.98A 3oxzA-5l6oA:
31.6		 3oxzA-5l6oA:
37.79
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.
3R9C_A_ECLA451_1
(CYTOCHROME P450
164A2)		 2c0n A197
(Sulfolobus
turreted
icosahedral
virus
1) 		5 / 10 ALA A  44
LEU A 118
ILE A 123
THR A 162
VAL A 152
 None
None
None
None
DIO  A1201 (-4.0A)
 1.30A 3r9cA-2c0nA:
undetectable		 3r9cA-2c0nA:
19.57
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.
3RAE_F_LFXF101_1
(DNA TOPOISOMERASE 4
SUBUNIT A
DNA TOPOISOMERASE 4
SUBUNIT B)		 2hjs USG-1 PROTEIN
HOMOLOG
(Pseudomonas
aeruginosa) 		3 / 4 SER A  42
GLY A 164
GLU A 170
 None
DIO  A 407 (-3.4A)
None
 0.66A 3raeA-2hjsA:
2.3
3raeC-2hjsA:
undetectable		 3raeA-2hjsA:
22.14
3raeC-2hjsA:
20.05
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.
3T3Z_B_9PLB501_1
(CYTOCHROME P450 2E1)		 2ng1 SIGNAL SEQUENCE
RECOGNITION PROTEIN
FFH
(Thermus
aquaticus) 		4 / 6 PHE A 282
LEU A 257
THR A 263
LEU A 244
 DIO  A 800 ( 4.8A)
None
None
None
 0.99A 3t3zB-2ng1A:
undetectable		 3t3zB-2ng1A:
21.16
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.
3TZF_B_08DB280_1
(7,8-DIHYDROPTEROATE
SYNTHASE)		 2j3s FILAMIN-A
(Homo
sapiens) 		4 / 8 THR A2263
ARG A2264
GLY A2236
PHE A2311
 DIO  A3331 ( 4.0A)
None
None
None
 0.98A 3tzfB-2j3sA:
undetectable		 3tzfB-2j3sA:
21.47
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.
3WDM_A_ADNA901_1
(4-PHOSPHOPANTOATE--B
ETA-ALANINE LIGASE)		 4dn9 ANTIBIOTIC
BIOSYNTHESIS
MONOOXYGENASE
(Chloroflexus
aurantiacus) 		5 / 9 ALA A  71
GLY A  75
LEU A  22
LEU A  78
ILE A  47
 None
DIO  A 200 ( 4.9A)
None
None
None
 1.46A 3wdmA-4dn9A:
undetectable		 3wdmA-4dn9A:
18.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ZOS_B_0LIB1000_1
(EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1)		 5l6o EPHRIN TYPE-B
RECEPTOR 3
(Homo
sapiens) 		7 / 12 ALA A 663
ILE A 695
THR A 711
LEU A 749
HIS A 756
LEU A 765
ASP A 776
 6P6  A1001 (-3.3A)
None
6P6  A1001 (-3.5A)
None
DIO  A1002 (-4.1A)
6P6  A1001 (-4.5A)
None
 0.42A 3zosB-5l6oA:
31.9		 3zosB-5l6oA:
37.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ZOS_B_0LIB1000_1
(EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1)		 5l6o EPHRIN TYPE-B
RECEPTOR 3
(Homo
sapiens) 		7 / 12 ILE A 695
THR A 711
LEU A 749
HIS A 756
ARG A 757
LEU A 765
ASP A 776
 None
6P6  A1001 (-3.5A)
None
DIO  A1002 (-4.1A)
None
6P6  A1001 (-4.5A)
None
 0.73A 3zosB-5l6oA:
31.9		 3zosB-5l6oA:
37.20
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.
3ZQ8_D_DVAD6_0
(VAL-GRAMICIDIN A)		 5nit GLUCOSE OXIDASE
(Aspergillus
niger) 		4 / 4 TRP A 133
TRP A 122
ALA A 117
VAL A 119
 DIO  A 610 ( 3.9A)
None
None
DIO  A 610 ( 4.9A)
 1.28A 3zq8C-5nitA:
undetectable
3zq8D-5nitA:
undetectable		 3zq8C-5nitA:
2.74
3zq8D-5nitA:
2.74
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.
4PTH_A_FOLA201_1
(DIHYDROFOLATE
REDUCTASE)		 1v93 5,10-METHYLENETETRAH
YDROFOLATE REDUCTASE
(Thermus
thermophilus) 		3 / 3 ASP A 162
LEU A 163
PHE A 166
 FAD  A 300 ( 4.9A)
DIO  A 304 ( 4.5A)
None
 0.54A 4pthA-1v93A:
undetectable		 4pthA-1v93A:
18.24
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.
4QLG_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 1v93 5,10-METHYLENETETRAH
YDROFOLATE REDUCTASE
(Thermus
thermophilus) 		5 / 12 ASP A 162
LEU A 163
PHE A 166
LYS A 167
ILE A 204
 FAD  A 300 ( 4.9A)
DIO  A 304 ( 4.5A)
None
DIO  A 304 ( 4.6A)
None
 1.15A 4qlgA-1v93A:
undetectable		 4qlgA-1v93A:
18.24
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.
4R3A_B_RBFB402_1
(BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2)		 2jgp TYROCIDINE
SYNTHETASE 3
(Brevibacillus
brevis) 		5 / 10 THR A 220
ILE A 226
LEU A 236
VAL A 230
MET A 123
 DIO  A1525 ( 3.8A)
None
DIO  A1525 ( 3.8A)
None
None
 1.17A 4r3aB-2jgpA:
undetectable		 4r3aB-2jgpA:
22.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4TYJ_A_0LIA801_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 4)		 5l6o EPHRIN TYPE-B
RECEPTOR 3
(Homo
sapiens) 		5 / 12 ALA A 663
MET A 686
HIS A 756
LEU A 765
ASP A 776
 6P6  A1001 (-3.3A)
6P6  A1001 ( 4.2A)
DIO  A1002 (-4.1A)
6P6  A1001 (-4.5A)
None
 0.63A 4tyjA-5l6oA:
32.0		 4tyjA-5l6oA:
34.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4UXQ_A_0LIA1752_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 4)		 5l6o EPHRIN TYPE-B
RECEPTOR 3
(Homo
sapiens) 		5 / 12 ALA A 663
LEU A 749
HIS A 756
LEU A 765
ASP A 776
 6P6  A1001 (-3.3A)
None
DIO  A1002 (-4.1A)
6P6  A1001 (-4.5A)
None
 0.30A 4uxqA-5l6oA:
32.2		 4uxqA-5l6oA:
34.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4V01_A_0LIA1776_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1
(FMS-RELATED
TYROSINE KINASE 2,
PFEIFFER SYNDROME),
ISOFORM CRA_B)		 5l6o EPHRIN TYPE-B
RECEPTOR 3
(Homo
sapiens) 		5 / 12 ALA A 663
MET A 686
LEU A 749
HIS A 756
ASP A 776
 6P6  A1001 (-3.3A)
6P6  A1001 ( 4.2A)
None
DIO  A1002 (-4.1A)
None
 0.78A 4v01A-5l6oA:
32.0		 4v01A-5l6oA:
31.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4WA9_A_AXIA9000_1
(TYROSINE-PROTEIN
KINASE ABL1)		 5l6o EPHRIN TYPE-B
RECEPTOR 3
(Homo
sapiens) 		7 / 11 ALA A 663
LYS A 665
THR A 711
MET A 714
ASN A 763
LEU A 765
PHE A 777
 6P6  A1001 (-3.3A)
None
6P6  A1001 (-3.5A)
None
None
6P6  A1001 (-4.5A)
DIO  A1002 (-4.5A)
 1.29A 4wa9A-5l6oA:
28.7		 4wa9A-5l6oA:
38.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4WA9_B_AXIB9000_1
(TYROSINE-PROTEIN
KINASE ABL1)		 5l6o EPHRIN TYPE-B
RECEPTOR 3
(Homo
sapiens) 		7 / 12 ALA A 663
THR A 711
PHE A 713
MET A 714
ASN A 763
LEU A 765
PHE A 777
 6P6  A1001 (-3.3A)
6P6  A1001 (-3.5A)
6P6  A1001 ( 4.5A)
None
None
6P6  A1001 (-4.5A)
DIO  A1002 (-4.5A)
 1.30A 4wa9B-5l6oA:
31.4		 4wa9B-5l6oA:
38.67
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.
4Z91_J_4LEJ401_1
(GAMMA-AMINOBUTYRIC-A
CID RECEPTOR SUBUNIT
BETA-1)		 2ng1 SIGNAL SEQUENCE
RECOGNITION PROTEIN
FFH
(Thermus
aquaticus) 		6 / 9 LEU A  86
ALA A 255
LEU A 244
ALA A 220
LEU A 247
LEU A 287
 None
None
None
None
None
DIO  A 800 ( 4.0A)
 1.24A 4z91F-2ng1A:
undetectable
4z91G-2ng1A:
2.5
4z91H-2ng1A:
undetectable
4z91I-2ng1A:
2.1
4z91J-2ng1A:
2.3		 4z91F-2ng1A:
20.23
4z91G-2ng1A:
20.23
4z91H-2ng1A:
20.23
4z91I-2ng1A:
20.23
4z91J-2ng1A:
20.23
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.
4Z91_J_4LEJ401_1
(GAMMA-AMINOBUTYRIC-A
CID RECEPTOR SUBUNIT
BETA-1)		 2ng1 SIGNAL SEQUENCE
RECOGNITION PROTEIN
FFH
(Thermus
aquaticus) 		6 / 9 LEU A 244
ALA A 220
LEU A 247
LEU A 287
LEU A  86
ALA A 255
 None
None
None
DIO  A 800 ( 4.0A)
None
None
 1.20A 4z91F-2ng1A:
undetectable
4z91G-2ng1A:
2.5
4z91H-2ng1A:
undetectable
4z91I-2ng1A:
2.1
4z91J-2ng1A:
2.3		 4z91F-2ng1A:
20.23
4z91G-2ng1A:
20.23
4z91H-2ng1A:
20.23
4z91I-2ng1A:
20.23
4z91J-2ng1A:
20.23
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.
5E5J_A_017A201_3
(PROTEASE)		 2hjs USG-1 PROTEIN
HOMOLOG
(Pseudomonas
aeruginosa) 		3 / 3 ASP A 257
VAL A 264
LEU A 143
 DIO  A 402 ( 4.0A)
None
None
 0.67A 5e5jB-2hjsA:
undetectable		 5e5jB-2hjsA:
14.29
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.
5ERG_B_SAMB401_1
(TRNA
(ADENINE(58)-N(1))-M
ETHYLTRANSFERASE
CATALYTIC SUBUNIT
TRM61)		 2hjs USG-1 PROTEIN
HOMOLOG
(Pseudomonas
aeruginosa) 		4 / 7 GLY A  11
GLY A  14
SER A  15
ASP A  58
 None
DIO  A 407 (-3.5A)
DIO  A 407 ( 3.0A)
None
 0.65A 5ergB-2hjsA:
undetectable		 5ergB-2hjsA:
20.10
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.
5ESE_A_TPFA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 2ng1 SIGNAL SEQUENCE
RECOGNITION PROTEIN
FFH
(Thermus
aquaticus) 		4 / 8 LEU A 287
PHE A   2
GLY A 254
LEU A 244
 DIO  A 800 ( 4.0A)
None
None
None
 0.84A 5eseA-2ng1A:
undetectable		 5eseA-2ng1A:
20.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5GWY_E_010E6_0
(N-[(5-METHYLISOXAZOL
-3-YL)CARBONYL]ALANY
L-L-VALYL-N~1~-((1R,
2Z)-4-(BENZYLOXY)-4-
OXO-1-{[(3R)-2-OXOPY
RROLIDIN-3-YL]METHYL
}BUT-2-ENYL)-L-LEUCI
NAMIDE
MAIN PROTEASE)		 1p9s REPLICASE
POLYPROTEIN 1AB
(Human
coronavirus
229E) 		4 / 4 THR A  25
LEU A  27
HIS A  41
GLY A 142
 None
None
DIO  A 301 (-3.7A)
None
 0.51A 5gwyA-1p9sA:
42.1		 5gwyA-1p9sA:
69.28
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.
5N0R_A_SAMA501_1
(PEPTIDE
N-METHYLTRANSFERASE)		 5nit GLUCOSE OXIDASE
(Aspergillus
niger) 		4 / 4 SER A 191
ALA A 188
GLN A 481
THR A 482
 DIO  A 614 (-4.5A)
DIO  A 614 (-3.9A)
None
None
 1.29A 5n0rA-5nitA:
undetectable		 5n0rA-5nitA:
22.55
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.
5N0S_A_SAMA501_1
(PEPTIDE
N-METHYLTRANSFERASE)		 5nit GLUCOSE OXIDASE
(Aspergillus
niger) 		4 / 4 SER A 191
ALA A 188
GLN A 481
THR A 482
 DIO  A 614 (-4.5A)
DIO  A 614 (-3.9A)
None
None
 1.27A 5n0sA-5nitA:
undetectable		 5n0sA-5nitA:
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.
5N0W_A_SAMA501_1
(PEPTIDE
N-METHYLTRANSFERASE)		 5nit GLUCOSE OXIDASE
(Aspergillus
niger) 		4 / 4 SER A 191
ALA A 188
GLN A 481
THR A 482
 DIO  A 614 (-4.5A)
DIO  A 614 (-3.9A)
None
None
 1.26A 5n0wA-5nitA:
undetectable		 5n0wA-5nitA:
22.55
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.
5N0W_B_SAMB501_1
(PEPTIDE
N-METHYLTRANSFERASE)		 5nit GLUCOSE OXIDASE
(Aspergillus
niger) 		4 / 5 SER A 191
ALA A 188
GLN A 481
THR A 482
 DIO  A 614 (-4.5A)
DIO  A 614 (-3.9A)
None
None
 1.27A 5n0wB-5nitA:
undetectable		 5n0wB-5nitA:
22.55
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.
5N4I_A_SAMA501_1
(PEPTIDE
N-METHYLTRANSFERASE)		 5nit GLUCOSE OXIDASE
(Aspergillus
niger) 		4 / 5 SER A 191
ALA A 188
GLN A 481
THR A 482
 DIO  A 614 (-4.5A)
DIO  A 614 (-3.9A)
None
None
 1.27A 5n4iA-5nitA:
undetectable		 5n4iA-5nitA:
22.55
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.
5UUN_B_ACTB306_0
(GLUTATHIONE
S-TRANSFERASE-LIKE
PROTEIN)		 2hjs USG-1 PROTEIN
HOMOLOG
(Pseudomonas
aeruginosa) 		4 / 4 LEU A 163
GLY A 164
SER A 161
SER A 159
 None
DIO  A 407 (-3.4A)
None
None
 1.26A 5uunB-2hjsA:
undetectable		 5uunB-2hjsA:
24.33
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.
5WWS_B_SAMB501_0
(PUTATIVE
METHYLTRANSFERASE
NSUN6)		 1dc1 BSOBI RESTRICTION
ENDONUCLEASE
(Geobacillus
stearothermophil
us) 		5 / 12 ALA A 136
GLY A 243
LYS A 242
GLY A 186
ASP A 212
 DIO  A1002 (-3.6A)
None
None
None
None
 1.01A 5wwsB-1dc1A:
undetectable		 5wwsB-1dc1A:
21.30
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.
5ZJ8_A_9DCA303_0
(METALLO-BETA-LACTAMA
SE TYPE 2)		 5nit GLUCOSE OXIDASE
(Aspergillus
niger) 		4 / 8 HIS A 210
ASP A 208
ASN A 407
HIS A 115
 None
DIO  A 613 ( 4.5A)
NAG  A 608 (-3.6A)
DIO  A 613 (-3.9A)
 1.04A 5zj8A-5nitA:
undetectable		 5zj8A-5nitA:
19.74
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.
6AK3_A_P2EA1201_1
(PROSTAGLANDIN E2
RECEPTOR EP3
SUBTYPE,SOLUBLE
CYTOCHROME B562)		 3npe 9-CIS-EPOXYCAROTENOI
D DIOXYGENASE 1,
CHLOROPLASTIC
(Zea
mays) 		4 / 4 PRO A 582
MET A 176
GLY A 157
VAL A 130
 None
None
None
DIO  A2947 ( 4.7A)
 1.27A 6ak3A-3npeA:
undetectable		 6ak3A-3npeA:
10.18
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.
6H3D_A_DHIA601_0
(DUF2338
DOMAIN-CONTAINING
PROTEIN)		 5l6o EPHRIN TYPE-B
RECEPTOR 3
(Homo
sapiens) 		4 / 5 TYR A 748
ASN A 753
TYR A 754
PHE A 689
 None
None
DIO  A1002 (-4.5A)
DIO  A1002 (-4.7A)
 1.35A 6h3dA-5l6oA:
undetectable		 6h3dA-5l6oA:
22.17
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_0
(TYROSINE-PROTEIN
KINASE ABL1)		 5l6o EPHRIN TYPE-B
RECEPTOR 3
(Homo
sapiens) 		7 / 12 VAL A 647
ALA A 663
LYS A 665
ILE A 694
ILE A 709
THR A 711
ASP A 776
 None
6P6  A1001 (-3.3A)
None
DIO  A1002 ( 4.5A)
6P6  A1001 ( 4.5A)
6P6  A1001 (-3.5A)
None
 1.49A 6hd4B-5l6oA:
33.0		 6hd4B-5l6oA:
12.93