SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '294'


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.
1A28_A_STRA1_1
(PROGESTERONE
RECEPTOR)		 3f7p PLECTIN-1
(Homo
sapiens) 		5 / 12 ASN A 221
LEU A 219
LEU A 257
MET A 289
MET A 234
 None
EDO  A 294 ( 4.9A)
None
None
None
 1.12A 1a28A-3f7pA:
undetectable		 1a28A-3f7pA:
22.98
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.
1A4G_A_ZMRA466_1
(NEURAMINIDASE)		 3juu PORPHYRANASE B
(Zobellia
galactanivorans) 		5 / 12 ARG A  70
GLU A 256
GLU A 161
ASN A 183
TYR A 258
 GOL  A 294 (-3.3A)
GOL  A 294 (-2.7A)
GOL  A 294 (-3.1A)
None
None
 1.45A 1a4gA-3juuA:
undetectable		 1a4gA-3juuA:
22.06
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.
1A4G_B_ZMRB466_1
(NEURAMINIDASE)		 3juu PORPHYRANASE B
(Zobellia
galactanivorans) 		5 / 12 ARG A  70
GLU A 256
GLU A 161
ASN A 183
TYR A 258
 GOL  A 294 (-3.3A)
GOL  A 294 (-2.7A)
GOL  A 294 (-3.1A)
None
None
 1.41A 1a4gB-3juuA:
undetectable		 1a4gB-3juuA:
22.06
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.
1EIZ_A_SAMA301_1
(FTSJ)		 3ghg FIBRINOGEN GAMMA
CHAIN
(Homo
sapiens) 		3 / 3 ASP C 294
ASP C 298
ASP C 291
 ASP  C 294 ( 0.5A)
ASP  C 298 ( 0.6A)
ASP  C 291 ( 0.6A)
 0.79A 1eizA-3ghgC:
undetectable		 1eizA-3ghgC:
15.69
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.
1EJ0_A_SAMA301_1
(FTSJ)		 3ghg FIBRINOGEN GAMMA
CHAIN
(Homo
sapiens) 		3 / 3 ASP C 294
ASP C 298
ASP C 291
 ASP  C 294 ( 0.5A)
ASP  C 298 ( 0.6A)
ASP  C 291 ( 0.6A)
 0.74A 1ej0A-3ghgC:
undetectable		 1ej0A-3ghgC:
15.69
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.
1ESW_A_ACRA652_1
(AMYLOMALTASE)		 2r3b YJEF-RELATED PROTEIN
(Enterococcus
faecalis) 		4 / 6 GLY A 213
ASP A 216
GLY A  38
TYR A  37
 EDO  A 294 (-3.3A)
EDO  A 294 (-3.4A)
None
None
 0.95A 1eswA-2r3bA:
undetectable		 1eswA-2r3bA:
19.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1GHM_A_CEDA1_1
(BETA-LACTAMASE)		 4c75 BETA-LACTAMASE
(synthetic
construct) 		7 / 12 SER A  70
LYS A  73
SER A 130
ASN A 132
LYS A 234
GLY A 236
ARG A 244
 NA  A 294 ( 2.5A)
SO4  A 291 ( 4.6A)
SO4  A 291 (-2.8A)
None
SO4  A 291 (-3.4A)
NA  A 294 ( 3.2A)
SO4  A 291 (-4.1A)
 0.37A 1ghmA-4c75A:
37.2		 1ghmA-4c75A:
41.29
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.
1GTN_O_TRPO81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)		 4c6y BETA-LACTAMASE
(synthetic
construct) 		5 / 10 GLY A  62
ALA A 187
THR A 181
THR A 182
ALA A 188
 None
PEG  A 301 ( 3.6A)
None
None
PEG  A 294 (-2.5A)
 1.32A 1gtnO-4c6yA:
undetectable
1gtnP-4c6yA:
undetectable		 1gtnO-4c6yA:
15.18
1gtnP-4c6yA:
15.18
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.
1GTN_Q_TRPQ81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)		 4c6y BETA-LACTAMASE
(synthetic
construct) 		5 / 9 GLY A  62
ALA A 187
THR A 181
THR A 182
ALA A 188
 None
PEG  A 301 ( 3.6A)
None
None
PEG  A 294 (-2.5A)
 1.32A 1gtnQ-4c6yA:
undetectable
1gtnR-4c6yA:
undetectable		 1gtnQ-4c6yA:
15.18
1gtnR-4c6yA:
15.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1I2W_A_CFXA1300_1
(BETA-LACTAMASE)		 4c75 BETA-LACTAMASE
(synthetic
construct) 		8 / 12 SER A  70
LYS A  73
SER A 130
ASN A 132
GLU A 166
THR A 216
LYS A 234
GLY A 236
 NA  A 294 ( 2.5A)
SO4  A 291 ( 4.6A)
SO4  A 291 (-2.8A)
None
None
SO4  A 291 ( 4.1A)
SO4  A 291 (-3.4A)
NA  A 294 ( 3.2A)
 0.36A 1i2wA-4c75A:
41.1		 1i2wA-4c75A:
54.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1I2W_B_CFXB2300_1
(BETA-LACTAMASE)		 4c75 BETA-LACTAMASE
(synthetic
construct) 		8 / 12 SER A  70
LYS A  73
SER A 130
ASN A 132
GLU A 166
THR A 216
GLY A 236
ARG A 244
 NA  A 294 ( 2.5A)
SO4  A 291 ( 4.6A)
SO4  A 291 (-2.8A)
None
None
SO4  A 291 ( 4.1A)
NA  A 294 ( 3.2A)
SO4  A 291 (-4.1A)
 0.40A 1i2wB-4c75A:
41.3		 1i2wB-4c75A:
54.84
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_2
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL)		 2xik SERINE/THREONINE
PROTEIN KINASE 25
(Homo
sapiens) 		4 / 7 LYS A  49
ILE A  93
ARG A 139
LEU A 147
 None
None
TPO  A 174 ( 2.9A)
J60  A1294 (-4.8A)
 0.73A 1iepB-2xikA:
19.0		 1iepB-2xikA:
26.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JDV_E_ADNE4260_1
(5'-METHYLTHIOADENOSI
NE PHOSPHORYLASE)		 3khs PURINE NUCLEOSIDE
PHOSPHORYLASE
(Singapore
grouper
iridovirus) 		5 / 12 GLY A 115
GLU A 198
VAL A 214
MET A 216
SER A 239
 None
None
None
TRS  A 294 (-3.7A)
None
 0.68A 1jdvE-3khsA:
23.3
1jdvF-3khsA:
22.5		 1jdvE-3khsA:
25.68
1jdvF-3khsA:
25.68
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.
1KIJ_A_NOVA400_2
(DNA GYRASE SUBUNIT B)		 2pnn TRANSIENT RECEPTOR
POTENTIAL CATION
CHANNEL SUBFAMILY V
MEMBER 1
(Rattus
norvegicus) 		3 / 3 ASN A 301
PHE A 245
VAL A 294
 ASN  A 301 ( 0.6A)
PHE  A 245 ( 1.3A)
VAL  A 294 ( 0.5A)
 0.81A 1kijA-2pnnA:
undetectable		 1kijA-2pnnA:
21.81
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.
1L2I_A_CCSA417_0
(ESTROGEN RECEPTOR)		 2iss PYRIDOXAL
BIOSYNTHESIS LYASE
PDXS
(Thermotoga
maritima) 		3 / 3 GLU A  90
LYS A  82
VAL A  83
 None
5RP  A 294 (-1.3A)
None
 0.97A 1l2iA-2issA:
undetectable		 1l2iA-2issA:
21.32
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.
1M17_A_AQ4A999_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 2y7j PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM
(Homo
sapiens) 		8 / 12 ALA A  51
LYS A  53
LEU A 105
LEU A 109
MET A 110
GLY A 113
LEU A 160
ASP A 171
 B49  A1294 (-3.2A)
None
None
B49  A1294 ( 4.7A)
None
B49  A1294 (-3.6A)
B49  A1294 (-4.4A)
B49  A1294 (-4.2A)
 0.49A 1m17A-2y7jA:
25.9		 1m17A-2y7jA:
23.44
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.
1M17_A_AQ4A999_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 2y7j PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM
(Homo
sapiens) 		7 / 12 LYS A  53
GLU A  77
LEU A 109
MET A 110
GLY A 113
LEU A 160
ASP A 171
 None
None
B49  A1294 ( 4.7A)
None
B49  A1294 (-3.6A)
B49  A1294 (-4.4A)
B49  A1294 (-4.2A)
 0.74A 1m17A-2y7jA:
25.9		 1m17A-2y7jA:
23.44
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.
1MZ9_D_VDYD1001_3
(CARTILAGE OLIGOMERIC
MATRIX PROTEIN)		 1uzr RIBONUCLEOTIDE
REDUCTASE R2-2 SMALL
SUBUNIT
(Mycobacterium
tuberculosis) 		3 / 3 THR A 219
LEU A 223
LEU A 230
 CIT  A1294 ( 3.6A)
CIT  A1294 (-4.5A)
None
 0.21A 1mz9C-1uzrA:
undetectable		 1mz9C-1uzrA:
9.80
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.
1N13_B_AG2B7011_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE ALPHA
CHAIN
PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE BETA
CHAIN)		 3r1x 2-OXO-3-DEOXYGALACTO
NATE KINASE
(Klebsiella
pneumoniae) 		4 / 5 ARG A 109
LEU A 146
ASP A 154
LEU A  81
 FMT  A 294 ( 4.6A)
None
FMT  A 294 (-3.4A)
None
 1.23A 1n13B-3r1xA:
undetectable
1n13C-3r1xA:
undetectable		 1n13B-3r1xA:
15.10
1n13C-3r1xA:
12.07
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.
1NB9_A_RBFA401_1
(HYPOTHETICAL PROTEIN
FLJ11149)		 1t6x RIBOFLAVIN
KINASE/FMN
ADENYLYLTRANSFERASE
(Thermotoga
maritima) 		7 / 9 THR A 180
VAL A 213
GLU A 231
ARG A 255
LEU A 266
ILE A 270
ASP A 273
 ADP  A 294 (-3.7A)
None
None
None
None
None
None
 0.86A 1nb9A-1t6xA:
8.4		 1nb9A-1t6xA:
17.16
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.
1ODI_C_ADNC1238_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 3khs PURINE NUCLEOSIDE
PHOSPHORYLASE
(Singapore
grouper
iridovirus) 		5 / 11 MET A 216
GLY A 116
SER A 239
ASN A 240
ILE A 242
 TRS  A 294 (-3.7A)
None
None
None
None
 1.11A 1odiC-3khsA:
21.2		 1odiC-3khsA:
23.10
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.
1OS2_A_HAEA874_1
(MACROPHAGE
METALLOELASTASE)		 3b8z PROTEIN ADAMTS-5
(Homo
sapiens) 		4 / 5 HIS A 410
GLU A 411
HIS A 414
HIS A 420
 ZN  A 901 ( 3.2A)
294  A 801 (-2.7A)
ZN  A 901 ( 3.3A)
ZN  A 901 ( 3.3A)
 0.16A 1os2A-3b8zA:
10.5		 1os2A-3b8zA:
23.64
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.
1OS2_D_HAED574_1
(MACROPHAGE
METALLOELASTASE)		 3b8z PROTEIN ADAMTS-5
(Homo
sapiens) 		4 / 4 HIS A 410
GLU A 411
HIS A 414
HIS A 420
 ZN  A 901 ( 3.2A)
294  A 801 (-2.7A)
ZN  A 901 ( 3.3A)
ZN  A 901 ( 3.3A)
 0.13A 1os2D-3b8zA:
10.5		 1os2D-3b8zA:
23.64
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.
1PK7_B_ADNB1246_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 3khs PURINE NUCLEOSIDE
PHOSPHORYLASE
(Singapore
grouper
iridovirus) 		4 / 8 GLY A 115
VAL A 214
MET A 216
ILE A 242
 None
None
TRS  A 294 (-3.7A)
None
 0.58A 1pk7B-3khsA:
22.3		 1pk7B-3khsA:
24.07
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.
1PK7_B_ADNB1246_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 3khs PURINE NUCLEOSIDE
PHOSPHORYLASE
(Singapore
grouper
iridovirus) 		4 / 8 GLY A 115
VAL A 214
MET A 216
SER A 239
 None
None
TRS  A 294 (-3.7A)
None
 0.50A 1pk7B-3khsA:
22.3		 1pk7B-3khsA:
24.07
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.
1PK9_C_2FAC308_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 3khs PURINE NUCLEOSIDE
PHOSPHORYLASE
(Singapore
grouper
iridovirus) 		5 / 11 GLY A 115
VAL A 214
MET A 216
SER A 239
ILE A 242
 None
None
TRS  A 294 (-3.7A)
None
None
 0.69A 1pk9C-3khsA:
21.8		 1pk9C-3khsA:
24.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1PWY_E_AC2E290_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 3khs PURINE NUCLEOSIDE
PHOSPHORYLASE
(Singapore
grouper
iridovirus) 		7 / 10 GLY A 115
PHE A 197
GLU A 198
VAL A 214
GLY A 215
MET A 216
ASN A 240
 None
TRS  A 294 (-4.9A)
None
None
TRS  A 294 ( 3.9A)
TRS  A 294 (-3.7A)
None
 0.52A 1pwyE-3khsA:
37.7		 1pwyE-3khsA:
49.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1PWY_E_AC2E290_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 3khs PURINE NUCLEOSIDE
PHOSPHORYLASE
(Singapore
grouper
iridovirus) 		5 / 10 GLY A 215
PHE A 197
GLU A 198
VAL A 192
GLY A 194
 TRS  A 294 ( 3.9A)
TRS  A 294 (-4.9A)
None
None
None
 1.11A 1pwyE-3khsA:
37.7		 1pwyE-3khsA:
49.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1PWY_E_AC2E290_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 3khs PURINE NUCLEOSIDE
PHOSPHORYLASE
(Singapore
grouper
iridovirus) 		5 / 10 GLY A 215
PHE A 197
VAL A 192
GLY A 194
VAL A 214
 TRS  A 294 ( 3.9A)
TRS  A 294 (-4.9A)
None
None
None
 1.22A 1pwyE-3khsA:
37.7		 1pwyE-3khsA:
49.13
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.
1Q8J_A_C2FA801_0
(5-METHYLTETRAHYDROFO
LATE S-HOMOCYSTEINE
METHYLTRANSFERASE)		 2y5j DIHYDROPTEROATE
SYNTHASE
(Burkholderia
cenocepacia) 		5 / 12 ASP A 101
ASN A 120
ASP A 191
GLY A 229
SER A 231
 None
None
None
None
EDO  A1294 (-2.6A)
 0.72A 1q8jA-2y5jA:
8.8		 1q8jA-2y5jA:
19.35
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.
1QVU_A_PRLA196_0
(TRANSCRIPTIONAL
REGULATOR QACR)		 5l5n PLEXIN-A4
(Mus
musculus) 		4 / 6 LEU A 279
GLU A 294
TRP A 384
THR A 197
 LEU  A 279 ( 0.5A)
GLU  A 294 ( 0.5A)
TRP  A 384 ( 0.5A)
THR  A 197 ( 0.8A)
 1.29A 1qvuA-5l5nA:
undetectable		 1qvuA-5l5nA:
10.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1R55_A_097A518_1
(ADAM 33)		 3b8z PROTEIN ADAMTS-5
(Homo
sapiens) 		6 / 10 THR A 378
THR A 407
HIS A 410
GLU A 411
HIS A 414
HIS A 420
 294  A 801 ( 3.8A)
294  A 801 ( 3.8A)
ZN  A 901 ( 3.2A)
294  A 801 (-2.7A)
ZN  A 901 ( 3.3A)
ZN  A 901 ( 3.3A)
 0.33A 1r55A-3b8zA:
25.7		 1r55A-3b8zA:
30.49
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.
1SG9_A_SAMA301_1
(HEMK PROTEIN)		 2xik SERINE/THREONINE
PROTEIN KINASE 25
(Homo
sapiens) 		4 / 4 THR A  79
GLY A 101
ASP A 105
ALA A 144
 J60  A1294 ( 4.2A)
J60  A1294 ( 3.8A)
J60  A1294 (-3.2A)
None
 1.24A 1sg9A-2xikA:
undetectable		 1sg9A-2xikA:
23.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1T6Z_A_RBFA296_1
(RIBOFLAVIN
KINASE/FMN
ADENYLYLTRANSFERASE)		 1t6x RIBOFLAVIN
KINASE/FMN
ADENYLYLTRANSFERASE
(Thermotoga
maritima) 		9 / 11 THR A 180
VAL A 197
ASN A 215
GLU A 231
ARG A 255
LYS A 258
LEU A 266
ILE A 270
ASP A 273
 ADP  A 294 (-3.7A)
None
None
None
None
None
None
None
None
 0.79A 1t6zA-1t6xA:
40.4		 1t6zA-1t6xA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1T6Z_A_RBFA296_1
(RIBOFLAVIN
KINASE/FMN
ADENYLYLTRANSFERASE)		 1t6x RIBOFLAVIN
KINASE/FMN
ADENYLYLTRANSFERASE
(Thermotoga
maritima) 		10 / 11 THR A 180
VAL A 197
VAL A 213
GLU A 231
ARG A 255
GLU A 257
LYS A 258
LEU A 266
ILE A 270
ASP A 273
 ADP  A 294 (-3.7A)
None
None
None
None
None
None
None
None
None
 0.49A 1t6zA-1t6xA:
40.4		 1t6zA-1t6xA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1T6Z_B_RBFB596_1
(RIBOFLAVIN
KINASE/FMN
ADENYLYLTRANSFERASE)		 1t6x RIBOFLAVIN
KINASE/FMN
ADENYLYLTRANSFERASE
(Thermotoga
maritima) 		7 / 11 THR A 180
VAL A 197
ASN A 215
GLU A 231
ARG A 255
LEU A 266
ASP A 273
 ADP  A 294 (-3.7A)
None
None
None
None
None
None
 0.85A 1t6zB-1t6xA:
38.3		 1t6zB-1t6xA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1T6Z_B_RBFB596_1
(RIBOFLAVIN
KINASE/FMN
ADENYLYLTRANSFERASE)		 1t6x RIBOFLAVIN
KINASE/FMN
ADENYLYLTRANSFERASE
(Thermotoga
maritima) 		9 / 11 THR A 180
VAL A 197
VAL A 213
GLU A 231
ARG A 255
GLU A 257
LEU A 266
ILE A 270
ASP A 273
 ADP  A 294 (-3.7A)
None
None
None
None
None
None
None
None
 0.71A 1t6zB-1t6xA:
38.3		 1t6zB-1t6xA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1T6Z_B_RBFB596_1
(RIBOFLAVIN
KINASE/FMN
ADENYLYLTRANSFERASE)		 1t6x RIBOFLAVIN
KINASE/FMN
ADENYLYLTRANSFERASE
(Thermotoga
maritima) 		9 / 11 THR A 180
VAL A 197
VAL A 213
GLU A 231
TYR A 233
ARG A 255
GLU A 257
LEU A 266
ASP A 273
 ADP  A 294 (-3.7A)
None
None
None
None
None
None
None
None
 0.50A 1t6zB-1t6xA:
38.3		 1t6zB-1t6xA:
100.00
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.
1UTT_A_HAEA1265_1
(MACROPHAGE
METALLOELASTASE)		 3b8z PROTEIN ADAMTS-5
(Homo
sapiens) 		4 / 4 HIS A 410
GLU A 411
HIS A 414
HIS A 420
 ZN  A 901 ( 3.2A)
294  A 801 (-2.7A)
ZN  A 901 ( 3.3A)
ZN  A 901 ( 3.3A)
 0.22A 1uttA-3b8zA:
10.9		 1uttA-3b8zA:
23.15
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.
1UTZ_A_HAEA1267_1
(MACROPHAGE
METALLOELASTASE)		 3b8z PROTEIN ADAMTS-5
(Homo
sapiens) 		4 / 4 HIS A 410
GLU A 411
HIS A 414
HIS A 420
 ZN  A 901 ( 3.2A)
294  A 801 (-2.7A)
ZN  A 901 ( 3.3A)
ZN  A 901 ( 3.3A)
 0.20A 1utzA-3b8zA:
10.6		 1utzA-3b8zA:
23.15
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.
1UTZ_B_HAEB1266_1
(MACROPHAGE
METALLOELASTASE)		 3b8z PROTEIN ADAMTS-5
(Homo
sapiens) 		4 / 4 HIS A 410
GLU A 411
HIS A 414
HIS A 420
 ZN  A 901 ( 3.2A)
294  A 801 (-2.7A)
ZN  A 901 ( 3.3A)
ZN  A 901 ( 3.3A)
 0.19A 1utzB-3b8zA:
10.7		 1utzB-3b8zA:
23.15
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.
1UWH_A_BAXA1723_1
(B-RAF PROTO-ONCOGENE
SERINE/THREONINE-PRO
TEIN KINASE)		 2xik SERINE/THREONINE
PROTEIN KINASE 25
(Homo
sapiens) 		5 / 12 ALA A  47
GLU A  66
LEU A  70
LEU A 131
HIS A 138
 J60  A1294 (-3.3A)
None
None
None
None
 0.40A 1uwhA-2xikA:
16.8		 1uwhA-2xikA:
29.58
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.
1UWH_A_BAXA1723_2
(B-RAF PROTO-ONCOGENE
SERINE/THREONINE-PRO
TEIN KINASE)		 2y7j PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM
(Homo
sapiens) 		4 / 6 ILE A  30
VAL A  38
ILE A  90
ILE A 149
 B49  A1294 (-3.9A)
None
None
None
 0.73A 1uwhA-2y7jA:
15.7		 1uwhA-2y7jA:
23.22
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.
1UWH_B_BAXB1723_2
(B-RAF PROTO-ONCOGENE
SERINE/THREONINE-PRO
TEIN KINASE)		 2y7j PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM
(Homo
sapiens) 		4 / 6 ILE A  30
VAL A  38
ILE A  90
ILE A 149
 B49  A1294 (-3.9A)
None
None
None
 0.74A 1uwhB-2y7jA:
15.7		 1uwhB-2y7jA:
23.22
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)		 2xik SERINE/THREONINE
PROTEIN KINASE 25
(Homo
sapiens) 		5 / 12 VAL A  34
ALA A  47
GLU A  66
LEU A 131
HIS A 138
 J60  A1294 ( 4.9A)
J60  A1294 (-3.3A)
None
None
None
 0.52A 1uwjA-2xikA:
7.8		 1uwjA-2xikA:
30.35
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.
1UWJ_A_BAXA1723_2
(B-RAF PROTO-ONCOGENE
SERINE/THREONINE-PRO
TEIN KINASE)		 2y7j PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM
(Homo
sapiens) 		4 / 7 ILE A  30
LEU A  81
ILE A  90
ILE A 149
 B49  A1294 (-3.9A)
None
None
None
 0.88A 1uwjA-2y7jA:
7.4		 1uwjA-2y7jA:
23.70
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.
1UWJ_A_BAXA1723_2
(B-RAF PROTO-ONCOGENE
SERINE/THREONINE-PRO
TEIN KINASE)		 2y7j PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM
(Homo
sapiens) 		4 / 7 ILE A  30
LYS A  53
LEU A  81
ILE A  90
 B49  A1294 (-3.9A)
None
None
None
 0.75A 1uwjA-2y7jA:
7.4		 1uwjA-2y7jA:
23.70
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)		 2xik SERINE/THREONINE
PROTEIN KINASE 25
(Homo
sapiens) 		5 / 12 VAL A  34
ALA A  47
GLU A  66
LEU A 131
HIS A 138
 J60  A1294 ( 4.9A)
J60  A1294 (-3.3A)
None
None
None
 0.51A 1uwjB-2xikA:
7.8		 1uwjB-2xikA:
30.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1V3Q_E_2DIE290_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 3khs PURINE NUCLEOSIDE
PHOSPHORYLASE
(Singapore
grouper
iridovirus) 		7 / 10 GLY A 115
PHE A 197
GLU A 198
VAL A 214
GLY A 215
MET A 216
ASN A 240
 None
TRS  A 294 (-4.9A)
None
None
TRS  A 294 ( 3.9A)
TRS  A 294 (-3.7A)
None
 0.43A 1v3qE-3khsA:
37.5		 1v3qE-3khsA:
49.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1V3Q_E_2DIE290_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 3khs PURINE NUCLEOSIDE
PHOSPHORYLASE
(Singapore
grouper
iridovirus) 		5 / 10 GLY A 215
PHE A 197
GLU A 198
VAL A 192
GLY A 194
 TRS  A 294 ( 3.9A)
TRS  A 294 (-4.9A)
None
None
None
 1.18A 1v3qE-3khsA:
37.5		 1v3qE-3khsA:
49.13
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.
1W76_B_GNTB1538_1
(ACETYLCHOLINESTERASE)		 4ccw CARBOXYL ESTERASE NP
(Bacillus
subtilis) 		5 / 10 ASP A  88
TRP A  71
GLY A 133
GLY A 132
SER A 130
 None
None
None
None
VKC  A1294 ( 3.8A)
 1.20A 1w76B-4ccwA:
12.4		 1w76B-4ccwA:
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.
1WSV_A_THHA3001_0
(AMINOMETHYLTRANSFERA
SE)		 4ikn AP-3 COMPLEX SUBUNIT
MU-1
(Rattus
norvegicus) 		5 / 12 THR A 294
LEU A 351
ILE A 295
VAL A 274
ASN A 300
 THR  A 294 ( 0.8A)
LEU  A 351 ( 0.6A)
ILE  A 295 ( 0.6A)
VAL  A 274 ( 0.5A)
ASN  A 300 ( 0.6A)
 1.18A 1wsvA-4iknA:
undetectable		 1wsvA-4iknA:
22.96
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.
1WSV_B_THHB4001_0
(AMINOMETHYLTRANSFERA
SE)		 4ikn AP-3 COMPLEX SUBUNIT
MU-1
(Rattus
norvegicus) 		5 / 12 THR A 294
LEU A 351
ILE A 295
VAL A 274
ASN A 300
 THR  A 294 ( 0.8A)
LEU  A 351 ( 0.6A)
ILE  A 295 ( 0.6A)
VAL  A 274 ( 0.5A)
ASN  A 300 ( 0.6A)
 1.23A 1wsvB-4iknA:
undetectable		 1wsvB-4iknA:
22.96
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_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 2y7j PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM
(Homo
sapiens) 		6 / 12 ALA A  51
GLY A 113
ASP A 117
LEU A 160
ASP A 171
PHE A 172
 B49  A1294 (-3.2A)
B49  A1294 (-3.6A)
None
B49  A1294 (-4.4A)
B49  A1294 (-4.2A)
None
 0.96A 1xkkA-2y7jA:
22.4		 1xkkA-2y7jA:
25.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1XKK_A_FMMA91_2
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 2y7j PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM
(Homo
sapiens) 		5 / 9 VAL A  38
LEU A  93
LEU A 105
LEU A 109
MET A 110
 None
None
None
B49  A1294 ( 4.7A)
None
 0.45A 1xkkA-2y7jA:
22.4		 1xkkA-2y7jA:
25.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1Y7I_A_SALA501_1
(SALICYLIC
ACID-BINDING PROTEIN
2)		 4ccw CARBOXYL ESTERASE NP
(Bacillus
subtilis) 		5 / 9 GLY A  63
ALA A  64
SER A 130
LEU A 131
HIS A 274
 None
VKC  A1294 (-3.4A)
VKC  A1294 ( 3.8A)
None
VKC  A1294 ( 4.9A)
 0.65A 1y7iA-4ccwA:
17.9		 1y7iA-4ccwA:
22.19
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.
1Y7I_B_SALB503_1
(SALICYLIC
ACID-BINDING PROTEIN
2)		 4ccw CARBOXYL ESTERASE NP
(Bacillus
subtilis) 		5 / 10 ALA A  64
SER A 130
LEU A 131
PHE A 182
HIS A 274
 VKC  A1294 (-3.4A)
VKC  A1294 ( 3.8A)
None
VKC  A1294 (-4.5A)
VKC  A1294 ( 4.9A)
 1.07A 1y7iB-4ccwA:
17.8		 1y7iB-4ccwA:
22.19
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.
1Y93_A_HAEA301_1
(MACROPHAGE
METALLOELASTASE)		 3b8z PROTEIN ADAMTS-5
(Homo
sapiens) 		4 / 6 HIS A 410
GLU A 411
HIS A 414
HIS A 420
 ZN  A 901 ( 3.2A)
294  A 801 (-2.7A)
ZN  A 901 ( 3.3A)
ZN  A 901 ( 3.3A)
 0.11A 1y93A-3b8zA:
10.7		 1y93A-3b8zA:
23.72
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.
1YC2_A_NCAA506_0
(NAD-DEPENDENT
DEACETYLASE 2)		 5a3c SIR2 FAMILY PROTEIN
(Streptococcus
pyogenes) 		4 / 6 ALA A  34
SER A  37
ASN A 118
ASP A 120
 NAD  A1294 (-3.3A)
NAD  A1294 ( 4.1A)
NAD  A1294 (-3.9A)
NAD  A1294 (-3.9A)
 0.27A 1yc2A-5a3cA:
13.7		 1yc2A-5a3cA:
23.10
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.
1YC5_A_NCAA2001_0
(NAD-DEPENDENT
DEACETYLASE)		 5a3c SIR2 FAMILY PROTEIN
(Streptococcus
pyogenes) 		4 / 7 ALA A  34
SER A  37
ASN A 118
ASP A 120
 NAD  A1294 (-3.3A)
NAD  A1294 ( 4.1A)
NAD  A1294 (-3.9A)
NAD  A1294 (-3.9A)
 0.31A 1yc5A-5a3cA:
13.1		 1yc5A-5a3cA:
23.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1YMX_A_CFXA1001_1
(BETA-LACTAMASE
CTX-M-9)		 4c75 BETA-LACTAMASE
(synthetic
construct) 		10 / 12 SER A  70
LYS A  73
SER A 130
ASN A 132
GLU A 166
ASN A 170
THR A 216
LYS A 234
GLY A 236
GLY A 238
 NA  A 294 ( 2.5A)
SO4  A 291 ( 4.6A)
SO4  A 291 (-2.8A)
None
None
None
SO4  A 291 ( 4.1A)
SO4  A 291 (-3.4A)
NA  A 294 ( 3.2A)
None
 0.41A 1ymxA-4c75A:
42.7		 1ymxA-4c75A:
57.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1YMX_B_CFXB1002_1
(BETA-LACTAMASE
CTX-M-9)		 4c75 BETA-LACTAMASE
(synthetic
construct) 		9 / 12 SER A  70
LYS A  73
SER A 130
ASN A 132
GLU A 166
ASN A 170
LYS A 234
GLY A 236
GLY A 238
 NA  A 294 ( 2.5A)
SO4  A 291 ( 4.6A)
SO4  A 291 (-2.8A)
None
None
None
SO4  A 291 (-3.4A)
NA  A 294 ( 3.2A)
None
 0.35A 1ymxB-4c75A:
42.8		 1ymxB-4c75A:
57.03
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.
2CML_B_ZMRB2477_1
(NEURAMINIDASE)		 3juu PORPHYRANASE B
(Zobellia
galactanivorans) 		5 / 12 ARG A  70
GLU A 256
GLU A 161
ASN A 183
TYR A 258
 GOL  A 294 (-3.3A)
GOL  A 294 (-2.7A)
GOL  A 294 (-3.1A)
None
None
 1.43A 2cmlB-3juuA:
undetectable		 2cmlB-3juuA:
21.13
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.
2CML_C_ZMRC3477_1
(NEURAMINIDASE)		 3juu PORPHYRANASE B
(Zobellia
galactanivorans) 		5 / 12 ARG A  70
GLU A 256
GLU A 161
ASN A 183
TYR A 258
 GOL  A 294 (-3.3A)
GOL  A 294 (-2.7A)
GOL  A 294 (-3.1A)
None
None
 1.42A 2cmlC-3juuA:
undetectable		 2cmlC-3juuA:
21.13
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.
2DDW_B_PXLB1005_1
(PYRIDOXINE KINASE)		 2r3b YJEF-RELATED PROTEIN
(Enterococcus
faecalis) 		4 / 7 SER A 244
LEU A 218
THR A 214
GLY A 208
 None
None
EDO  A 294 (-4.8A)
None
 0.90A 2ddwB-2r3bA:
5.5		 2ddwB-2r3bA:
23.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2EVA_A_ADNA498_1
(TAK1 KINASE - TAB1
CHIMERA FUSION
PROTEIN)		 2xik SERINE/THREONINE
PROTEIN KINASE 25
(Homo
sapiens) 		6 / 11 GLY A  27
VAL A  34
ALA A  47
TYR A  97
SER A 102
LEU A 147
 J60  A1294 ( 4.1A)
J60  A1294 ( 4.9A)
J60  A1294 (-3.3A)
J60  A1294 (-4.5A)
None
J60  A1294 (-4.8A)
 0.64A 2evaA-2xikA:
19.6		 2evaA-2xikA:
30.79
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.
2F6D_A_ACRA996_1
(GLUCOAMYLASE GLU1)		 1bf6 PHOSPHOTRIESTERASE
HOMOLOGY PROTEIN
(Escherichia
coli) 		4 / 7 HIS A 186
ASN A 192
THR A 157
GLY A 185
 ZN  A 293 (-3.3A)
SO4  A 294 ( 4.9A)
None
None
 0.93A 2f6dA-1bf6A:
0.0		 2f6dA-1bf6A:
18.35
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)		 2xik SERINE/THREONINE
PROTEIN KINASE 25
(Homo
sapiens) 		8 / 12 GLY A  27
VAL A  34
ALA A  47
ASP A 140
LYS A 142
ALA A 144
ASN A 145
ASP A 158
 J60  A1294 ( 4.1A)
J60  A1294 ( 4.9A)
J60  A1294 (-3.3A)
None
None
None
None
J60  A1294 ( 4.6A)
 0.63A 2fumA-2xikA:
22.0		 2fumA-2xikA:
26.30
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.
2FUM_B_MIXB1539_1
(PROBABLE
SERINE/THREONINE-PRO
TEIN KINASE PKNB)		 2xik SERINE/THREONINE
PROTEIN KINASE 25
(Homo
sapiens) 		8 / 12 GLY A  27
VAL A  34
ALA A  47
MET A  95
TYR A  97
LYS A 142
ASN A 145
ASP A 158
 J60  A1294 ( 4.1A)
J60  A1294 ( 4.9A)
J60  A1294 (-3.3A)
J60  A1294 ( 3.8A)
J60  A1294 (-4.5A)
None
None
J60  A1294 ( 4.6A)
 0.68A 2fumB-2xikA:
22.0		 2fumB-2xikA:
26.30
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.
2FUM_C_MIXC2539_1
(PROBABLE
SERINE/THREONINE-PRO
TEIN KINASE PKNB)		 2xik SERINE/THREONINE
PROTEIN KINASE 25
(Homo
sapiens) 		6 / 12 GLY A  27
VAL A  34
ALA A  47
MET A  95
TYR A  97
ASN A 145
 J60  A1294 ( 4.1A)
J60  A1294 ( 4.9A)
J60  A1294 (-3.3A)
J60  A1294 ( 3.8A)
J60  A1294 (-4.5A)
None
 0.69A 2fumC-2xikA:
20.8		 2fumC-2xikA:
26.30
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.
2GQG_A_1N1A501_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 2xik SERINE/THREONINE
PROTEIN KINASE 25
(Homo
sapiens) 		7 / 12 ALA A  47
LYS A  49
GLU A  66
ILE A  93
GLY A 101
LEU A 147
ALA A 157
 J60  A1294 (-3.3A)
None
None
None
J60  A1294 ( 3.8A)
J60  A1294 (-4.8A)
J60  A1294 ( 4.2A)
 0.63A 2gqgA-2xikA:
21.0		 2gqgA-2xikA:
27.15
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.
2GQG_B_1N1B502_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 2xik SERINE/THREONINE
PROTEIN KINASE 25
(Homo
sapiens) 		8 / 12 VAL A  34
ALA A  47
LYS A  49
GLU A  66
ILE A  93
GLY A 101
LEU A 147
ALA A 157
 J60  A1294 ( 4.9A)
J60  A1294 (-3.3A)
None
None
None
J60  A1294 ( 3.8A)
J60  A1294 (-4.8A)
J60  A1294 ( 4.2A)
 0.55A 2gqgB-2xikA:
28.0		 2gqgB-2xikA:
27.15
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.
2HMA_A_SAMA375_0
(PROBABLE TRNA
(5-METHYLAMINOMETHYL
-2-THIOURIDYLATE)-ME
THYLTRANSFERASE)		 4c75 BETA-LACTAMASE
(synthetic
construct) 		5 / 11 SER A 130
SER A  70
ASN A 276
THR A 237
GLY A 236
 SO4  A 291 (-2.8A)
NA  A 294 ( 2.5A)
None
SO4  A 291 ( 3.4A)
NA  A 294 ( 3.2A)
 1.37A 2hmaA-4c75A:
undetectable		 2hmaA-4c75A:
21.93
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.
2HU6_A_HAEA269_1
(MACROPHAGE
METALLOELASTASE)		 3b8z PROTEIN ADAMTS-5
(Homo
sapiens) 		4 / 4 HIS A 410
GLU A 411
HIS A 414
HIS A 420
 ZN  A 901 ( 3.2A)
294  A 801 (-2.7A)
ZN  A 901 ( 3.3A)
ZN  A 901 ( 3.3A)
 0.14A 2hu6A-3b8zA:
10.7		 2hu6A-3b8zA:
23.72
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.
2HYY_A_STIA600_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 2xik SERINE/THREONINE
PROTEIN KINASE 25
(Homo
sapiens) 		6 / 12 VAL A  34
ALA A  47
GLU A  66
GLY A 101
LEU A 147
ALA A 157
 J60  A1294 ( 4.9A)
J60  A1294 (-3.3A)
None
J60  A1294 ( 3.8A)
J60  A1294 (-4.8A)
J60  A1294 ( 4.2A)
 0.82A 2hyyA-2xikA:
19.1		 2hyyA-2xikA:
27.48
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_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 2xik SERINE/THREONINE
PROTEIN KINASE 25
(Homo
sapiens) 		6 / 12 VAL A  34
ALA A  47
GLU A  66
GLY A 101
LEU A 147
ALA A 157
 J60  A1294 ( 4.9A)
J60  A1294 (-3.3A)
None
J60  A1294 ( 3.8A)
J60  A1294 (-4.8A)
J60  A1294 ( 4.2A)
 0.78A 2hyyB-2xikA:
19.0		 2hyyB-2xikA:
27.48
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_D_STID600_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 2xik SERINE/THREONINE
PROTEIN KINASE 25
(Homo
sapiens) 		6 / 12 VAL A  34
ALA A  47
GLU A  66
ILE A  93
LEU A 147
ALA A 157
 J60  A1294 ( 4.9A)
J60  A1294 (-3.3A)
None
None
J60  A1294 (-4.8A)
J60  A1294 ( 4.2A)
 0.92A 2hyyD-2xikA:
18.9		 2hyyD-2xikA:
27.48
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.
2ITO_A_IREA2020_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 2y7j PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM
(Homo
sapiens) 		6 / 12 ALA A  51
LYS A  53
LEU A 105
GLY A 113
ASP A 117
LEU A 160
 B49  A1294 (-3.2A)
None
None
B49  A1294 (-3.6A)
None
B49  A1294 (-4.4A)
 0.66A 2itoA-2y7jA:
24.6		 2itoA-2y7jA:
21.52
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.
2ITZ_A_IREA2021_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 2y7j PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM
(Homo
sapiens) 		7 / 12 VAL A  38
ALA A  51
LYS A  53
GLY A 113
ASP A 117
LEU A 160
ASP A 171
 None
B49  A1294 (-3.2A)
None
B49  A1294 (-3.6A)
None
B49  A1294 (-4.4A)
B49  A1294 (-4.2A)
 0.66A 2itzA-2y7jA:
24.4		 2itzA-2y7jA:
20.76
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.
2ITZ_A_IREA2021_2
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 2y7j PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM
(Homo
sapiens) 		3 / 3 LEU A 105
LEU A 109
MET A 110
 None
B49  A1294 ( 4.7A)
None
 0.35A 2itzA-2y7jA:
24.4		 2itzA-2y7jA:
20.76
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.
2IVU_A_ZD6A3015_0
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE RECEPTOR RET
PRECURSOR)		 2y7j PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM
(Homo
sapiens) 		7 / 12 GLY A  31
VAL A  38
LYS A  53
LEU A  81
LEU A 105
LEU A 160
ASP A 171
 B49  A1294 (-4.0A)
None
None
None
None
B49  A1294 (-4.4A)
B49  A1294 (-4.2A)
 0.60A 2ivuA-2y7jA:
26.7		 2ivuA-2y7jA:
24.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2JIH_A_097A1001_1
(ADAMTS-1)		 3b8z PROTEIN ADAMTS-5
(Homo
sapiens) 		7 / 9 ASP A 377
LEU A 379
THR A 407
HIS A 410
GLU A 411
HIS A 414
HIS A 420
 None
294  A 801 (-4.8A)
294  A 801 ( 3.8A)
ZN  A 901 ( 3.2A)
294  A 801 (-2.7A)
ZN  A 901 ( 3.3A)
ZN  A 901 ( 3.3A)
 0.34A 2jihA-3b8zA:
35.5		 2jihA-3b8zA:
58.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2JIH_A_097A1001_1
(ADAMTS-1)		 3b8z PROTEIN ADAMTS-5
(Homo
sapiens) 		7 / 9 LEU A 379
THR A 407
HIS A 410
GLU A 411
HIS A 414
HIS A 420
LEU A 443
 294  A 801 (-4.8A)
294  A 801 ( 3.8A)
ZN  A 901 ( 3.2A)
294  A 801 (-2.7A)
ZN  A 901 ( 3.3A)
ZN  A 901 ( 3.3A)
294  A 801 (-4.1A)
 0.64A 2jihA-3b8zA:
35.5		 2jihA-3b8zA:
58.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2JIH_B_097B1001_1
(ADAMTS-1)		 3b8z PROTEIN ADAMTS-5
(Homo
sapiens) 		7 / 8 ASP A 377
LEU A 379
THR A 407
HIS A 410
GLU A 411
HIS A 414
HIS A 420
 None
294  A 801 (-4.8A)
294  A 801 ( 3.8A)
ZN  A 901 ( 3.2A)
294  A 801 (-2.7A)
ZN  A 901 ( 3.3A)
ZN  A 901 ( 3.3A)
 0.44A 2jihB-3b8zA:
35.6		 2jihB-3b8zA:
58.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2JIH_B_097B1001_1
(ADAMTS-1)		 3b8z PROTEIN ADAMTS-5
(Homo
sapiens) 		5 / 8 THR A 407
GLU A 411
HIS A 414
HIS A 420
LEU A 443
 294  A 801 ( 3.8A)
294  A 801 (-2.7A)
ZN  A 901 ( 3.3A)
ZN  A 901 ( 3.3A)
294  A 801 (-4.1A)
 0.94A 2jihB-3b8zA:
35.6		 2jihB-3b8zA:
58.53
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.
2M2P_B_DHIB24_0
(INSULIN B CHAIN)		 5d7w SERRALYSIN
(Serratia
marcescens) 		3 / 3 TYR A 297
GLY A 334
PHE A 294
 TYR  A 297 ( 1.3A)
GLY  A 334 (-0.0A)
PHE  A 294 ( 1.3A)
 0.67A 2m2pB-5d7wA:
undetectable		 2m2pB-5d7wA:
4.34
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.
2OIQ_A_STIA1001_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		 2xik SERINE/THREONINE
PROTEIN KINASE 25
(Homo
sapiens) 		9 / 12 VAL A  34
ALA A  47
LYS A  49
GLU A  66
ILE A  93
TYR A  97
GLY A 101
LEU A 147
ALA A 157
 J60  A1294 ( 4.9A)
J60  A1294 (-3.3A)
None
None
None
J60  A1294 (-4.5A)
J60  A1294 ( 3.8A)
J60  A1294 (-4.8A)
J60  A1294 ( 4.2A)
 0.82A 2oiqA-2xikA:
19.6		 2oiqA-2xikA:
29.52
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.
2OW9_A_HAEA502_1
(COLLAGENASE 3)		 3b8z PROTEIN ADAMTS-5
(Homo
sapiens) 		4 / 6 HIS A 410
GLU A 411
HIS A 414
HIS A 420
 ZN  A 901 ( 3.2A)
294  A 801 (-2.7A)
ZN  A 901 ( 3.3A)
ZN  A 901 ( 3.3A)
 0.20A 2ow9A-3b8zA:
10.3		 2ow9A-3b8zA:
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.
2OW9_B_HAEB502_1
(COLLAGENASE 3)		 3b8z PROTEIN ADAMTS-5
(Homo
sapiens) 		4 / 4 HIS A 410
GLU A 411
HIS A 414
HIS A 420
 ZN  A 901 ( 3.2A)
294  A 801 (-2.7A)
ZN  A 901 ( 3.3A)
ZN  A 901 ( 3.3A)
 0.21A 2ow9B-3b8zA:
10.2		 2ow9B-3b8zA:
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.
2OZR_C_HAEC3001_1
(COLLAGENASE 3)		 3b8z PROTEIN ADAMTS-5
(Homo
sapiens) 		4 / 4 HIS A 410
GLU A 411
HIS A 414
HIS A 420
 ZN  A 901 ( 3.2A)
294  A 801 (-2.7A)
ZN  A 901 ( 3.3A)
ZN  A 901 ( 3.3A)
 0.25A 2ozrC-3b8zA:
9.8		 2ozrC-3b8zA:
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.
2OZR_D_HAED3002_1
(COLLAGENASE 3)		 3b8z PROTEIN ADAMTS-5
(Homo
sapiens) 		4 / 4 HIS A 410
GLU A 411
HIS A 414
HIS A 420
 ZN  A 901 ( 3.2A)
294  A 801 (-2.7A)
ZN  A 901 ( 3.3A)
ZN  A 901 ( 3.3A)
 0.30A 2ozrD-3b8zA:
10.0		 2ozrD-3b8zA:
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.
2OZR_E_HAEE3003_1
(COLLAGENASE 3)		 3b8z PROTEIN ADAMTS-5
(Homo
sapiens) 		4 / 4 HIS A 410
GLU A 411
HIS A 414
HIS A 420
 ZN  A 901 ( 3.2A)
294  A 801 (-2.7A)
ZN  A 901 ( 3.3A)
ZN  A 901 ( 3.3A)
 0.37A 2ozrE-3b8zA:
10.1		 2ozrE-3b8zA:
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.
2PL0_A_STIA200_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE LCK)		 2xik SERINE/THREONINE
PROTEIN KINASE 25
(Homo
sapiens) 		7 / 12 ALA A  47
LYS A  49
GLU A  66
ILE A  93
TYR A  97
ALA A 157
ASP A 158
 J60  A1294 (-3.3A)
None
None
None
J60  A1294 (-4.5A)
J60  A1294 ( 4.2A)
J60  A1294 ( 4.6A)
 0.86A 2pl0A-2xikA:
19.9		 2pl0A-2xikA:
28.57
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.
2PL0_A_STIA200_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE LCK)		 2xik SERINE/THREONINE
PROTEIN KINASE 25
(Homo
sapiens) 		7 / 12 ALA A  47
LYS A  49
GLU A  66
ILE A  93
TYR A  97
LEU A 147
ALA A 157
 J60  A1294 (-3.3A)
None
None
None
J60  A1294 (-4.5A)
J60  A1294 (-4.8A)
J60  A1294 ( 4.2A)
 0.94A 2pl0A-2xikA:
19.9		 2pl0A-2xikA:
28.57
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.
2UY4_A_AZMA1311_1
(ENDOCHITINASE)		 4ac1 ENDO-N-ACETYL-BETA-D
-GLUCOSAMINIDASE
(Trichoderma
reesei) 		8 / 9 TYR X  12
GLY X  88
ALA X  89
ASP X 129
GLU X 131
GLN X 193
TYR X 195
TRP X 259
 ACT  X1288 ( 4.1A)
ZN  X1291 ( 4.5A)
None
ACT  X1288 (-2.9A)
ZN  X1291 (-2.5A)
ZN  X1294 ( 2.5A)
ACT  X1288 (-4.7A)
ACT  X1288 (-4.0A)
 0.68A 2uy4A-4ac1X:
22.2		 2uy4A-4ac1X:
26.37
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.
2V0M_A_KLNA1500_1
(CYTOCHROME P450 3A4)		 4asy GLUCOSE-1-PHOSPHATE
THYMIDYLYLTRANSFERAS
E
(Pseudomonas
aeruginosa) 		5 / 11 ARG A 128
SER A 124
LEU A  45
PHE A 118
LEU A 175
 None
None
N5Y  A1294 (-3.7A)
None
None
 1.29A 2v0mA-4asyA:
undetectable		 2v0mA-4asyA:
20.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XTK_A_AZMA1339_1
(CLASS III CHITINASE
CHIA1)		 4ac1 ENDO-N-ACETYL-BETA-D
-GLUCOSAMINIDASE
(Trichoderma
reesei) 		8 / 11 TYR X  12
GLY X  88
ALA X  89
ASP X 129
GLU X 131
GLN X 193
TYR X 195
TRP X 259
 ACT  X1288 ( 4.1A)
ZN  X1291 ( 4.5A)
None
ACT  X1288 (-2.9A)
ZN  X1291 (-2.5A)
ZN  X1294 ( 2.5A)
ACT  X1288 (-4.7A)
ACT  X1288 (-4.0A)
 0.65A 2xtkA-4ac1X:
23.2		 2xtkA-4ac1X:
24.07
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.
2XTK_B_AZMB1339_1
(CLASS III CHITINASE
CHIA1)		 4ac1 ENDO-N-ACETYL-BETA-D
-GLUCOSAMINIDASE
(Trichoderma
reesei) 		8 / 10 TYR X  12
GLY X  88
ALA X  89
ASP X 129
GLU X 131
GLN X 193
TYR X 195
TRP X 259
 ACT  X1288 ( 4.1A)
ZN  X1291 ( 4.5A)
None
ACT  X1288 (-2.9A)
ZN  X1291 (-2.5A)
ZN  X1294 ( 2.5A)
ACT  X1288 (-4.7A)
ACT  X1288 (-4.0A)
 0.66A 2xtkB-4ac1X:
23.2		 2xtkB-4ac1X:
24.07
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.
2Y6O_A_1N1A1892_1
(EPHRIN TYPE-A
RECEPTOR 4)		 2xik SERINE/THREONINE
PROTEIN KINASE 25
(Homo
sapiens) 		7 / 12 ALA A  47
LYS A  49
GLU A  66
ILE A  93
TYR A  97
GLY A 101
LEU A 147
 J60  A1294 (-3.3A)
None
None
None
J60  A1294 (-4.5A)
J60  A1294 ( 3.8A)
J60  A1294 (-4.8A)
 0.73A 2y6oA-2xikA:
20.4		 2y6oA-2xikA:
29.49
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.
2YCJ_A_C2FA3000_0
(5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE)		 2y5j DIHYDROPTEROATE
SYNTHASE
(Burkholderia
cenocepacia) 		5 / 12 ASP A 101
ASN A 120
ASP A 191
GLY A 229
SER A 231
 None
None
None
None
EDO  A1294 (-2.6A)
 0.77A 2ycjA-2y5jA:
20.7		 2ycjA-2y5jA:
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.
2YS6_A_GLYA431_0
(PHOSPHORIBOSYLGLYCIN
AMIDE SYNTHETASE)		 2q1d 2-KETO-3-DEOXY-D-ARA
BINONATE DEHYDRATASE
(Sulfolobus
solfataricus) 		4 / 8 ASP X 164
LYS X 182
GLY X 255
GLU X 145
 MG  X 294 ( 3.0A)
DO4  X 897 ( 2.8A)
DO4  X 897 (-3.1A)
MG  X 294 ( 2.7A)
 0.94A 2ys6A-2q1dX:
undetectable		 2ys6A-2q1dX:
21.88
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.
2ZVJ_A_SAMA301_0
(CATECHOL
O-METHYLTRANSFERASE)		 5nqf APICAL MEMBRANE
ANTIGEN 1
(Plasmodium
falciparum) 		5 / 12 ASN A 293
VAL A 294
MET A 224
ASN A 225
HIS A 220
 ASN  A 293 ( 0.6A)
VAL  A 294 ( 0.6A)
MET  A 224 ( 0.0A)
ASN  A 225 ( 0.6A)
HIS  A 220 ( 1.0A)
 1.49A 2zvjA-5nqfA:
undetectable		 2zvjA-5nqfA:
19.09
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.
2ZW9_A_SAMA801_1
(LEUCINE CARBOXYL
METHYLTRANSFERASE 2)		 3f7p PLECTIN-1
(Homo
sapiens) 		5 / 8 ARG A  69
ASP A 269
LEU A 243
ASP A 216
GLU A  66
 None
None
None
EDO  A 294 (-3.6A)
None
 1.48A 2zw9A-3f7pA:
undetectable		 2zw9A-3f7pA:
18.20
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.
3APX_A_Z80A190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		 4ccw CARBOXYL ESTERASE NP
(Bacillus
subtilis) 		5 / 12 PHE A 162
PHE A  66
PHE A 201
ALA A 170
PHE A 182
 None
VKC  A1294 ( 4.1A)
None
VKC  A1294 (-3.5A)
VKC  A1294 (-4.5A)
 1.49A 3apxA-4ccwA:
undetectable		 3apxA-4ccwA:
19.41
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.
3AQI_A_CHDA3_0
(FERROCHELATASE)		 1uzr RIBONUCLEOTIDE
REDUCTASE R2-2 SMALL
SUBUNIT
(Mycobacterium
tuberculosis) 		3 / 3 PRO A 152
LEU A 153
ARG A 220
 CIT  A1294 (-3.1A)
CIT  A1294 (-3.9A)
None
 0.84A 3aqiA-1uzrA:
undetectable		 3aqiA-1uzrA:
22.45
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.
3AX7_A_SALA1336_1
(XANTHINE
DEHYDROGENASE/OXIDAS
E)		 3icj UNCHARACTERIZED
METAL-DEPENDENT
HYDROLASE
(Pyrococcus
furiosus) 		4 / 8 SER A  98
THR A 476
VAL A 475
ALA A 344
 None
None
None
KCX  A 294 ( 4.1A)
 0.86A 3ax7A-3icjA:
undetectable		 3ax7A-3icjA:
18.09
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.
3AX9_A_SALA1341_1
(XANTHINE
DEHYDROGENASE/OXIDAS
E)		 3icj UNCHARACTERIZED
METAL-DEPENDENT
HYDROLASE
(Pyrococcus
furiosus) 		4 / 8 SER A  98
THR A 476
VAL A 475
ALA A 344
 None
None
None
KCX  A 294 ( 4.1A)
 0.91A 3ax9A-3icjA:
undetectable		 3ax9A-3icjA:
18.09
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.
3B7E_A_ZMRA1001_1
(NEURAMINIDASE)		 3juu PORPHYRANASE B
(Zobellia
galactanivorans) 		5 / 12 ARG A  70
GLU A 256
GLU A 161
ASN A 183
TYR A 258
 GOL  A 294 (-3.3A)
GOL  A 294 (-2.7A)
GOL  A 294 (-3.1A)
None
None
 1.43A 3b7eA-3juuA:
undetectable		 3b7eA-3juuA:
19.18
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.
3B7E_B_ZMRB1002_1
(NEURAMINIDASE)		 3juu PORPHYRANASE B
(Zobellia
galactanivorans) 		5 / 12 ARG A  70
GLU A 256
GLU A 161
ASN A 183
TYR A 258
 GOL  A 294 (-3.3A)
GOL  A 294 (-2.7A)
GOL  A 294 (-3.1A)
None
None
 1.43A 3b7eB-3juuA:
undetectable		 3b7eB-3juuA:
19.18
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.
3BBT_B_FMMB91_1
(RECEPTOR
TYROSINE-PROTEIN
KINASE ERBB-4)		 2y7j PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM
(Homo
sapiens) 		6 / 12 VAL A  38
ALA A  51
LEU A  93
LEU A 109
GLY A 113
LEU A 160
 None
B49  A1294 (-3.2A)
None
B49  A1294 ( 4.7A)
B49  A1294 (-3.6A)
B49  A1294 (-4.4A)
 0.38A 3bbtB-2y7jA:
22.2		 3bbtB-2y7jA:
21.55
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.
3BBT_B_FMMB91_1
(RECEPTOR
TYROSINE-PROTEIN
KINASE ERBB-4)		 2y7j PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM
(Homo
sapiens) 		7 / 12 VAL A  38
ALA A  51
LEU A 109
GLY A 113
LEU A 160
ASP A 171
PHE A 172
 None
B49  A1294 (-3.2A)
B49  A1294 ( 4.7A)
B49  A1294 (-3.6A)
B49  A1294 (-4.4A)
B49  A1294 (-4.2A)
None
 0.87A 3bbtB-2y7jA:
22.2		 3bbtB-2y7jA:
21.55
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.
3BBT_D_FMMD91_1
(RECEPTOR
TYROSINE-PROTEIN
KINASE ERBB-4)		 2y7j PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM
(Homo
sapiens) 		7 / 12 VAL A  38
ALA A  51
LYS A  53
GLY A 113
LEU A 160
ASP A 171
PHE A 172
 None
B49  A1294 (-3.2A)
None
B49  A1294 (-3.6A)
B49  A1294 (-4.4A)
B49  A1294 (-4.2A)
None
 1.08A 3bbtD-2y7jA:
22.5		 3bbtD-2y7jA:
21.55
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.
3CKZ_A_ZMRA469_1
(NEURAMINIDASE)		 3juu PORPHYRANASE B
(Zobellia
galactanivorans) 		5 / 12 ARG A  70
GLU A 256
GLU A 161
ASN A 183
TYR A 258
 GOL  A 294 (-3.3A)
GOL  A 294 (-2.7A)
GOL  A 294 (-3.1A)
None
None
 1.43A 3ckzA-3juuA:
undetectable		 3ckzA-3juuA:
21.18
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.
3CS9_A_NILA600_2
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 2xik SERINE/THREONINE
PROTEIN KINASE 25
(Homo
sapiens) 		6 / 12 ALA A  47
GLU A  66
VAL A  69
GLY A 101
LEU A 147
ALA A 157
 J60  A1294 (-3.3A)
None
None
J60  A1294 ( 3.8A)
J60  A1294 (-4.8A)
J60  A1294 ( 4.2A)
 0.79A 3cs9A-2xikA:
18.8		 3cs9A-2xikA:
27.67
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.
3CS9_B_NILB600_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 2xik SERINE/THREONINE
PROTEIN KINASE 25
(Homo
sapiens) 		5 / 12 ALA A  47
GLU A  66
VAL A  69
GLY A 101
ALA A 157
 J60  A1294 (-3.3A)
None
None
J60  A1294 ( 3.8A)
J60  A1294 ( 4.2A)
 0.64A 3cs9B-2xikA:
19.7		 3cs9B-2xikA:
27.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3E9R_A_ACTA700_0
(PURINE-NUCLEOSIDE
PHOSPHORYLASE)		 3khs PURINE NUCLEOSIDE
PHOSPHORYLASE
(Singapore
grouper
iridovirus) 		4 / 6 GLY A 115
GLU A 198
GLY A 215
MET A 216
 None
None
TRS  A 294 ( 3.9A)
TRS  A 294 (-3.7A)
 0.83A 3e9rA-3khsA:
36.8		 3e9rA-3khsA:
46.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3E9R_A_ACTA700_0
(PURINE-NUCLEOSIDE
PHOSPHORYLASE)		 3khs PURINE NUCLEOSIDE
PHOSPHORYLASE
(Singapore
grouper
iridovirus) 		4 / 6 GLY A 115
GLY A 215
MET A 216
ASN A 240
 None
TRS  A 294 ( 3.9A)
TRS  A 294 (-3.7A)
None
 0.49A 3e9rA-3khsA:
36.8		 3e9rA-3khsA:
46.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3E9R_C_ACTC700_0
(PURINE-NUCLEOSIDE
PHOSPHORYLASE)		 3khs PURINE NUCLEOSIDE
PHOSPHORYLASE
(Singapore
grouper
iridovirus) 		4 / 6 GLY A 115
GLU A 198
GLY A 215
MET A 216
 None
None
TRS  A 294 ( 3.9A)
TRS  A 294 (-3.7A)
 0.86A 3e9rC-3khsA:
37.0		 3e9rC-3khsA:
46.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3E9R_C_ACTC700_0
(PURINE-NUCLEOSIDE
PHOSPHORYLASE)		 3khs PURINE NUCLEOSIDE
PHOSPHORYLASE
(Singapore
grouper
iridovirus) 		4 / 6 GLY A 115
GLY A 215
MET A 216
ASN A 240
 None
TRS  A 294 ( 3.9A)
TRS  A 294 (-3.7A)
None
 0.50A 3e9rC-3khsA:
37.0		 3e9rC-3khsA:
46.55
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.
3EEY_E_SAME300_0
(PUTATIVE RRNA
METHYLASE)		 4asy GLUCOSE-1-PHOSPHATE
THYMIDYLYLTRANSFERAS
E
(Pseudomonas
aeruginosa) 		5 / 12 ASP A 110
ILE A  51
ASN A 111
LEU A 106
THR A  42
 None
None
None
None
N5Y  A1294 (-4.5A)
 1.15A 3eeyE-4asyA:
undetectable		 3eeyE-4asyA:
20.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EEY_F_SAMF300_0
(PUTATIVE RRNA
METHYLASE)		 4asy GLUCOSE-1-PHOSPHATE
THYMIDYLYLTRANSFERAS
E
(Pseudomonas
aeruginosa) 		5 / 12 ASP A 110
ILE A  51
ASN A 111
LEU A 106
THR A  42
 None
None
None
None
N5Y  A1294 (-4.5A)
 1.16A 3eeyF-4asyA:
undetectable		 3eeyF-4asyA:
20.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3EYG_A_MI1A1_1
(TYROSINE-PROTEIN
KINASE)		 2xik SERINE/THREONINE
PROTEIN KINASE 25
(Homo
sapiens) 		8 / 12 GLY A  27
GLY A  32
VAL A  34
ALA A  47
LYS A  49
MET A  95
SER A 102
LEU A 147
 J60  A1294 ( 4.1A)
None
J60  A1294 ( 4.9A)
J60  A1294 (-3.3A)
None
J60  A1294 ( 3.8A)
None
J60  A1294 (-4.8A)
 0.71A 3eygA-2xikA:
20.9		 3eygA-2xikA:
32.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3EYG_A_MI1A1_1
(TYROSINE-PROTEIN
KINASE)		 2xik SERINE/THREONINE
PROTEIN KINASE 25
(Homo
sapiens) 		9 / 12 GLY A  27
GLY A  32
VAL A  34
ALA A  47
MET A  95
SER A 102
ASN A 145
LEU A 147
ASP A 158
 J60  A1294 ( 4.1A)
None
J60  A1294 ( 4.9A)
J60  A1294 (-3.3A)
J60  A1294 ( 3.8A)
None
None
J60  A1294 (-4.8A)
J60  A1294 ( 4.6A)
 0.74A 3eygA-2xikA:
20.9		 3eygA-2xikA:
32.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3F8W_A_ADNA300_1
(PURINE-NUCLEOSIDE
PHOSPHORYLASE)		 3khs PURINE NUCLEOSIDE
PHOSPHORYLASE
(Singapore
grouper
iridovirus) 		9 / 12 SER A  30
TYR A  85
ALA A 113
GLY A 115
GLU A 198
VAL A 214
GLY A 215
MET A 216
ASN A 240
 PO4  A 290 (-2.6A)
None
PO4  A 290 ( 4.0A)
None
None
None
TRS  A 294 ( 3.9A)
TRS  A 294 (-3.7A)
None
 0.63A 3f8wA-3khsA:
38.2		 3f8wA-3khsA:
46.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3F8W_B_ADNB301_1
(PURINE-NUCLEOSIDE
PHOSPHORYLASE)		 3khs PURINE NUCLEOSIDE
PHOSPHORYLASE
(Singapore
grouper
iridovirus) 		9 / 12 SER A  30
HIS A  83
TYR A  85
GLY A 115
GLU A 198
VAL A 214
GLY A 215
MET A 216
ASN A 240
 PO4  A 290 (-2.6A)
PO4  A 290 (-4.0A)
None
None
None
None
TRS  A 294 ( 3.9A)
TRS  A 294 (-3.7A)
None
 0.62A 3f8wB-3khsA:
38.1		 3f8wB-3khsA:
46.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3F8W_C_ADNC302_1
(PURINE-NUCLEOSIDE
PHOSPHORYLASE)		 3khs PURINE NUCLEOSIDE
PHOSPHORYLASE
(Singapore
grouper
iridovirus) 		10 / 12 SER A  30
HIS A  83
TYR A  85
ALA A 113
GLY A 115
GLU A 198
VAL A 214
GLY A 215
MET A 216
ASN A 240
 PO4  A 290 (-2.6A)
PO4  A 290 (-4.0A)
None
PO4  A 290 ( 4.0A)
None
None
None
TRS  A 294 ( 3.9A)
TRS  A 294 (-3.7A)
None
 0.62A 3f8wC-3khsA:
38.4		 3f8wC-3khsA:
46.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3FUP_A_MI1A1_1
(TYROSINE-PROTEIN
KINASE JAK2)		 2xik SERINE/THREONINE
PROTEIN KINASE 25
(Homo
sapiens) 		9 / 12 GLY A  27
GLY A  32
VAL A  34
ALA A  47
LYS A  49
MET A  95
TYR A  97
SER A 102
LEU A 147
 J60  A1294 ( 4.1A)
None
J60  A1294 ( 4.9A)
J60  A1294 (-3.3A)
None
J60  A1294 ( 3.8A)
J60  A1294 (-4.5A)
None
J60  A1294 (-4.8A)
 0.89A 3fupA-2xikA:
27.6		 3fupA-2xikA:
30.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3FUP_A_MI1A1_1
(TYROSINE-PROTEIN
KINASE JAK2)		 2xik SERINE/THREONINE
PROTEIN KINASE 25
(Homo
sapiens) 		9 / 12 GLY A  27
GLY A  32
VAL A  34
ALA A  47
MET A  95
TYR A  97
SER A 102
LEU A 147
ASP A 158
 J60  A1294 ( 4.1A)
None
J60  A1294 ( 4.9A)
J60  A1294 (-3.3A)
J60  A1294 ( 3.8A)
J60  A1294 (-4.5A)
None
J60  A1294 (-4.8A)
J60  A1294 ( 4.6A)
 0.96A 3fupA-2xikA:
27.6		 3fupA-2xikA:
30.53
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.
3G5D_A_1N1A1_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		 2xik SERINE/THREONINE
PROTEIN KINASE 25
(Homo
sapiens) 		7 / 12 VAL A  34
ALA A  47
GLU A  66
ILE A  93
GLY A 101
LEU A 147
ALA A 157
 J60  A1294 ( 4.9A)
J60  A1294 (-3.3A)
None
None
J60  A1294 ( 3.8A)
J60  A1294 (-4.8A)
J60  A1294 ( 4.2A)
 0.55A 3g5dA-2xikA:
21.0		 3g5dA-2xikA:
29.21
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.
3G5D_A_1N1A1_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		 2xik SERINE/THREONINE
PROTEIN KINASE 25
(Homo
sapiens) 		7 / 12 VAL A  34
ALA A  47
GLU A  66
ILE A  93
TYR A  97
GLY A 101
ALA A 157
 J60  A1294 ( 4.9A)
J60  A1294 (-3.3A)
None
None
J60  A1294 (-4.5A)
J60  A1294 ( 3.8A)
J60  A1294 ( 4.2A)
 0.50A 3g5dA-2xikA:
21.0		 3g5dA-2xikA:
29.21
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.
3G5D_B_1N1B1_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		 2xik SERINE/THREONINE
PROTEIN KINASE 25
(Homo
sapiens) 		8 / 12 VAL A  34
ALA A  47
LYS A  49
GLU A  66
TYR A  97
GLY A 101
LEU A 147
ALA A 157
 J60  A1294 ( 4.9A)
J60  A1294 (-3.3A)
None
None
J60  A1294 (-4.5A)
J60  A1294 ( 3.8A)
J60  A1294 (-4.8A)
J60  A1294 ( 4.2A)
 0.74A 3g5dB-2xikA:
21.0		 3g5dB-2xikA:
29.21
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_2
(MITOGEN-ACTIVATED
PROTEIN KINASE 11)		 2y7j PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM
(Homo
sapiens) 		5 / 7 LYS A  53
LEU A 105
LEU A 109
MET A 110
ILE A  90
 None
None
B49  A1294 ( 4.7A)
None
None
 1.46A 3gp0A-2y7jA:
24.2		 3gp0A-2y7jA:
24.46
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.
3GVU_A_STIA1001_2
(TYROSINE-PROTEIN
KINASE ABL2)		 2xik SERINE/THREONINE
PROTEIN KINASE 25
(Homo
sapiens) 		4 / 5 LYS A  49
VAL A  69
ILE A  93
TYR A  97
 None
None
None
J60  A1294 (-4.5A)
 1.08A 3gvuA-2xikA:
19.2		 3gvuA-2xikA:
29.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3HLW_A_CE3A301_1
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		 4c75 BETA-LACTAMASE
(synthetic
construct) 		9 / 12 LYS A  73
TYR A 105
SER A 130
ASN A 132
ASN A 170
THR A 216
LYS A 234
GLY A 236
GLY A 238
 SO4  A 291 ( 4.6A)
None
SO4  A 291 (-2.8A)
None
None
SO4  A 291 ( 4.1A)
SO4  A 291 (-3.4A)
NA  A 294 ( 3.2A)
None
 0.45A 3hlwA-4c75A:
42.7		 3hlwA-4c75A:
56.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3HLW_B_CE3B302_1
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		 4c75 BETA-LACTAMASE
(synthetic
construct) 		9 / 12 TYR A 105
SER A 130
ASN A 132
ASN A 170
THR A 216
LYS A 234
THR A 235
GLY A 236
GLY A 238
 None
SO4  A 291 (-2.8A)
None
None
SO4  A 291 ( 4.1A)
SO4  A 291 (-3.4A)
SO4  A 291 (-3.8A)
NA  A 294 ( 3.2A)
None
 0.41A 3hlwB-4c75A:
42.9		 3hlwB-4c75A:
56.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3HUO_A_PNNA300_0
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		 4c75 BETA-LACTAMASE
(synthetic
construct) 		8 / 12 CYH A  69
LYS A  73
ASN A 132
ASN A 170
LYS A 234
THR A 235
GLY A 236
GLY A 238
 None
SO4  A 291 ( 4.6A)
None
None
SO4  A 291 (-3.4A)
SO4  A 291 (-3.8A)
NA  A 294 ( 3.2A)
None
 0.27A 3huoA-4c75A:
42.6		 3huoA-4c75A:
56.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3HUO_B_PNNB301_0
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		 4c75 BETA-LACTAMASE
(synthetic
construct) 		7 / 12 CYH A  69
LYS A  73
ASN A 132
ASN A 170
LYS A 234
GLY A 236
GLY A 238
 None
SO4  A 291 ( 4.6A)
None
None
SO4  A 291 (-3.4A)
NA  A 294 ( 3.2A)
None
 0.23A 3huoB-4c75A:
42.7		 3huoB-4c75A:
56.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3HY7_A_097A801_1
(A DISINTEGRIN AND
METALLOPROTEINASE
WITH THROMBOSPONDIN
MOTIFS 5)		 3b8z PROTEIN ADAMTS-5
(Homo
sapiens) 		8 / 9 ASP A 377
LEU A 379
THR A 407
HIS A 410
GLU A 411
HIS A 414
HIS A 420
ILE A 442
 None
294  A 801 (-4.8A)
294  A 801 ( 3.8A)
ZN  A 901 ( 3.2A)
294  A 801 (-2.7A)
ZN  A 901 ( 3.3A)
ZN  A 901 ( 3.3A)
None
 0.52A 3hy7A-3b8zA:
41.6		 3hy7A-3b8zA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3HY7_A_097A801_1
(A DISINTEGRIN AND
METALLOPROTEINASE
WITH THROMBOSPONDIN
MOTIFS 5)		 3b8z PROTEIN ADAMTS-5
(Homo
sapiens) 		7 / 9 LEU A 379
THR A 407
HIS A 410
GLU A 411
HIS A 414
ILE A 442
LEU A 443
 294  A 801 (-4.8A)
294  A 801 ( 3.8A)
ZN  A 901 ( 3.2A)
294  A 801 (-2.7A)
ZN  A 901 ( 3.3A)
None
294  A 801 (-4.1A)
 0.91A 3hy7A-3b8zA:
41.6		 3hy7A-3b8zA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3HY7_B_097B801_1
(A DISINTEGRIN AND
METALLOPROTEINASE
WITH THROMBOSPONDIN
MOTIFS 5)		 3b8z PROTEIN ADAMTS-5
(Homo
sapiens) 		8 / 9 ASP A 377
LEU A 379
THR A 407
HIS A 410
GLU A 411
HIS A 414
HIS A 420
ILE A 442
 None
294  A 801 (-4.8A)
294  A 801 ( 3.8A)
ZN  A 901 ( 3.2A)
294  A 801 (-2.7A)
ZN  A 901 ( 3.3A)
ZN  A 901 ( 3.3A)
None
 0.49A 3hy7B-3b8zA:
38.4		 3hy7B-3b8zA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3HY7_B_097B801_1
(A DISINTEGRIN AND
METALLOPROTEINASE
WITH THROMBOSPONDIN
MOTIFS 5)		 3b8z PROTEIN ADAMTS-5
(Homo
sapiens) 		8 / 9 LEU A 379
THR A 407
HIS A 410
GLU A 411
HIS A 414
HIS A 420
ILE A 442
LEU A 443
 294  A 801 (-4.8A)
294  A 801 ( 3.8A)
ZN  A 901 ( 3.2A)
294  A 801 (-2.7A)
ZN  A 901 ( 3.3A)
ZN  A 901 ( 3.3A)
None
294  A 801 (-4.1A)
 0.87A 3hy7B-3b8zA:
38.4		 3hy7B-3b8zA:
100.00
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.
3K5V_A_STIA2_1
(TYROSINE-PROTEIN
KINASE ABL1)		 2xik SERINE/THREONINE
PROTEIN KINASE 25
(Homo
sapiens) 		6 / 12 VAL A  34
ALA A  47
GLU A  66
GLY A 101
LEU A 147
ALA A 157
 J60  A1294 ( 4.9A)
J60  A1294 (-3.3A)
None
J60  A1294 ( 3.8A)
J60  A1294 (-4.8A)
J60  A1294 ( 4.2A)
 0.73A 3k5vA-2xikA:
23.7		 3k5vA-2xikA:
26.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K5V_B_STIB2_1
(TYROSINE-PROTEIN
KINASE ABL1)		 2xik SERINE/THREONINE
PROTEIN KINASE 25
(Homo
sapiens) 		6 / 12 VAL A  34
ALA A  47
GLU A  66
GLY A 101
LEU A 147
ALA A 157
 J60  A1294 ( 4.9A)
J60  A1294 (-3.3A)
None
J60  A1294 ( 3.8A)
J60  A1294 (-4.8A)
J60  A1294 ( 4.2A)
 0.73A 3k5vB-2xikA:
18.4		 3k5vB-2xikA:
26.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KEC_A_HAEA272_1
(COLLAGENASE 3)		 3b8z PROTEIN ADAMTS-5
(Homo
sapiens) 		4 / 5 HIS A 410
GLU A 411
HIS A 414
HIS A 420
 ZN  A 901 ( 3.2A)
294  A 801 (-2.7A)
ZN  A 901 ( 3.3A)
ZN  A 901 ( 3.3A)
 0.23A 3kecA-3b8zA:
10.3		 3kecA-3b8zA:
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.
3KEC_B_HAEB271_1
(COLLAGENASE 3)		 3b8z PROTEIN ADAMTS-5
(Homo
sapiens) 		3 / 3 HIS A 410
GLU A 411
HIS A 414
 ZN  A 901 ( 3.2A)
294  A 801 (-2.7A)
ZN  A 901 ( 3.3A)
 0.13A 3kecB-3b8zA:
10.3		 3kecB-3b8zA:
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.
3LFA_A_1N1A361_1
(MITOGEN-ACTIVATED
PROTEIN KINASE 14)		 2y7j PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM
(Homo
sapiens) 		4 / 8 ALA A  51
LEU A 105
LEU A 109
MET A 110
 B49  A1294 (-3.2A)
None
B49  A1294 ( 4.7A)
None
 0.29A 3lfaA-2y7jA:
23.6		 3lfaA-2y7jA:
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.
3LIK_A_HAEA302_1
(MACROPHAGE
METALLOELASTASE)		 3b8z PROTEIN ADAMTS-5
(Homo
sapiens) 		4 / 5 HIS A 410
GLU A 411
HIS A 414
HIS A 420
 ZN  A 901 ( 3.2A)
294  A 801 (-2.7A)
ZN  A 901 ( 3.3A)
ZN  A 901 ( 3.3A)
 0.13A 3likA-3b8zA:
10.7		 3likA-3b8zA:
23.72
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.
3LIL_A_HAEA302_1
(MACROPHAGE
METALLOELASTASE)		 3b8z PROTEIN ADAMTS-5
(Homo
sapiens) 		4 / 4 HIS A 410
GLU A 411
HIS A 414
HIS A 420
 ZN  A 901 ( 3.2A)
294  A 801 (-2.7A)
ZN  A 901 ( 3.3A)
ZN  A 901 ( 3.3A)
 0.15A 3lilA-3b8zA:
10.8		 3lilA-3b8zA:
23.72
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.
3LJG_A_HAEA301_1
(MACROPHAGE
METALLOELASTASE)		 3b8z PROTEIN ADAMTS-5
(Homo
sapiens) 		4 / 5 HIS A 410
GLU A 411
HIS A 414
HIS A 420
 ZN  A 901 ( 3.2A)
294  A 801 (-2.7A)
ZN  A 901 ( 3.3A)
ZN  A 901 ( 3.3A)
 0.13A 3ljgA-3b8zA:
10.9		 3ljgA-3b8zA:
23.72
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.
3LKA_A_HAEA269_1
(MACROPHAGE
METALLOELASTASE)		 3b8z PROTEIN ADAMTS-5
(Homo
sapiens) 		4 / 5 HIS A 410
GLU A 411
HIS A 414
HIS A 420
 ZN  A 901 ( 3.2A)
294  A 801 (-2.7A)
ZN  A 901 ( 3.3A)
ZN  A 901 ( 3.3A)
 0.17A 3lkaA-3b8zA:
10.7		 3lkaA-3b8zA:
23.72
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.
3LXK_A_MI1A1125_1
(TYROSINE-PROTEIN
KINASE JAK3)		 2xik SERINE/THREONINE
PROTEIN KINASE 25
(Homo
sapiens) 		8 / 12 GLY A  27
VAL A  34
ALA A  47
LYS A  49
MET A  95
TYR A  97
LEU A 147
ALA A 157
 J60  A1294 ( 4.1A)
J60  A1294 ( 4.9A)
J60  A1294 (-3.3A)
None
J60  A1294 ( 3.8A)
J60  A1294 (-4.5A)
J60  A1294 (-4.8A)
J60  A1294 ( 4.2A)
 0.89A 3lxkA-2xikA:
27.4		 3lxkA-2xikA:
29.05
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.
3LXK_A_MI1A1125_1
(TYROSINE-PROTEIN
KINASE JAK3)		 2xik SERINE/THREONINE
PROTEIN KINASE 25
(Homo
sapiens) 		8 / 12 GLY A  27
VAL A  34
ALA A  47
MET A  95
TYR A  97
LEU A 147
ALA A 157
ASP A 158
 J60  A1294 ( 4.1A)
J60  A1294 ( 4.9A)
J60  A1294 (-3.3A)
J60  A1294 ( 3.8A)
J60  A1294 (-4.5A)
J60  A1294 (-4.8A)
J60  A1294 ( 4.2A)
J60  A1294 ( 4.6A)
 1.01A 3lxkA-2xikA:
27.4		 3lxkA-2xikA:
29.05
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.
3LXN_A_MI1A1_1
(NON-RECEPTOR
TYROSINE-PROTEIN
KINASE TYK2)		 2xik SERINE/THREONINE
PROTEIN KINASE 25
(Homo
sapiens) 		7 / 12 GLY A  27
VAL A  34
ALA A  47
LYS A  49
TYR A  97
SER A 102
LEU A 147
 J60  A1294 ( 4.1A)
J60  A1294 ( 4.9A)
J60  A1294 (-3.3A)
None
J60  A1294 (-4.5A)
None
J60  A1294 (-4.8A)
 0.67A 3lxnA-2xikA:
27.8		 3lxnA-2xikA:
29.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MG0_H_BO2H1400_1
(PROTEASOME COMPONENT
PUP1
PROTEASOME COMPONENT
PUP3)		 3flu DIHYDRODIPICOLINATE
SYNTHASE
(Neisseria
meningitidis) 		5 / 11 SER A  48
THR A  44
ALA A  79
GLY A  78
THR A  77
 GOL  A 298 (-2.9A)
SO4  A 294 (-3.6A)
None
GOL  A 298 ( 4.1A)
None
 1.33A 3mg0H-3fluA:
undetectable
3mg0I-3fluA:
undetectable		 3mg0H-3fluA:
22.22
3mg0I-3fluA:
22.33
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.
3MIY_A_B49A1_1
(TYROSINE-PROTEIN
KINASE ITK/TSK)		 2y7j PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM
(Homo
sapiens) 		7 / 11 ILE A  30
ALA A  51
MET A 110
GLY A 113
LEU A 160
SER A 170
ASP A 171
 B49  A1294 (-3.9A)
B49  A1294 (-3.2A)
None
B49  A1294 (-3.6A)
B49  A1294 (-4.4A)
B49  A1294 ( 4.9A)
B49  A1294 (-4.2A)
 0.90A 3miyA-2y7jA:
24.0		 3miyA-2y7jA:
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.
3MIY_A_B49A1_1
(TYROSINE-PROTEIN
KINASE ITK/TSK)		 2y7j PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM
(Homo
sapiens) 		6 / 11 ILE A  30
ALA A  51
PHE A 107
MET A 110
GLY A 113
LEU A 160
 B49  A1294 (-3.9A)
B49  A1294 (-3.2A)
B49  A1294 (-4.0A)
None
B49  A1294 (-3.6A)
B49  A1294 (-4.4A)
 0.73A 3miyA-2y7jA:
24.0		 3miyA-2y7jA:
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.
3MIY_B_B49B2_1
(TYROSINE-PROTEIN
KINASE ITK/TSK)		 2y7j PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM
(Homo
sapiens) 		6 / 9 ILE A  30
ALA A  51
MET A 110
GLY A 113
LEU A 160
SER A 170
 B49  A1294 (-3.9A)
B49  A1294 (-3.2A)
None
B49  A1294 (-3.6A)
B49  A1294 (-4.4A)
B49  A1294 ( 4.9A)
 0.81A 3miyB-2y7jA:
24.0		 3miyB-2y7jA:
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.
3MIY_B_B49B2_1
(TYROSINE-PROTEIN
KINASE ITK/TSK)		 2y7j PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM
(Homo
sapiens) 		6 / 9 ILE A  30
ALA A  51
PHE A 107
MET A 110
GLY A 113
LEU A 160
 B49  A1294 (-3.9A)
B49  A1294 (-3.2A)
B49  A1294 (-4.0A)
None
B49  A1294 (-3.6A)
B49  A1294 (-4.4A)
 0.68A 3miyB-2y7jA:
24.0		 3miyB-2y7jA:
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.
3MZE_A_CFXA364_1
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACA)		 4c75 BETA-LACTAMASE
(synthetic
construct) 		6 / 12 SER A  70
LYS A  73
ASN A 132
THR A 235
GLY A 236
ARG A 244
 NA  A 294 ( 2.5A)
SO4  A 291 ( 4.6A)
None
SO4  A 291 (-3.8A)
NA  A 294 ( 3.2A)
SO4  A 291 (-4.1A)
 1.09A 3mzeA-4c75A:
21.2		 3mzeA-4c75A:
20.55
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.
3NLN_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 1bf6 PHOSPHOTRIESTERASE
HOMOLOGY PROTEIN
(Escherichia
coli) 		4 / 7 PHE A 141
GLU A 167
MET A 164
VAL A 184
 None
SO4  A 294 ( 4.5A)
SO4  A 294 (-3.6A)
None
 1.40A 3nlnA-1bf6A:
0.0
3nlnB-1bf6A:
0.0		 3nlnA-1bf6A:
23.43
3nlnB-1bf6A:
23.43
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.
3NXU_A_RITA600_1
(CYTOCHROME P450 3A4)		 4asy GLUCOSE-1-PHOSPHATE
THYMIDYLYLTRANSFERAS
E
(Pseudomonas
aeruginosa) 		6 / 12 PHE A 177
SER A 124
LEU A  45
PHE A 118
ALA A 136
GLY A 174
 None
None
N5Y  A1294 (-3.7A)
None
None
None
 1.26A 3nxuA-4asyA:
undetectable		 3nxuA-4asyA:
20.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NY4_A_SMXA308_1
(BETA-LACTAMASE)		 4c75 BETA-LACTAMASE
(synthetic
construct) 		9 / 12 SER A  70
SER A 130
ASN A 170
THR A 216
LYS A 234
THR A 235
GLY A 236
THR A 237
GLY A 238
 NA  A 294 ( 2.5A)
SO4  A 291 (-2.8A)
None
SO4  A 291 ( 4.1A)
SO4  A 291 (-3.4A)
SO4  A 291 (-3.8A)
NA  A 294 ( 3.2A)
SO4  A 291 ( 3.4A)
None
 0.44A 3ny4A-4c75A:
39.7		 3ny4A-4c75A:
58.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3OEZ_B_STIB601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		 2xik SERINE/THREONINE
PROTEIN KINASE 25
(Homo
sapiens) 		9 / 12 VAL A  34
ALA A  47
LYS A  49
GLU A  66
VAL A  69
ILE A  93
TYR A  97
LEU A 147
ALA A 157
 J60  A1294 ( 4.9A)
J60  A1294 (-3.3A)
None
None
None
None
J60  A1294 (-4.5A)
J60  A1294 (-4.8A)
J60  A1294 ( 4.2A)
 0.92A 3oezB-2xikA:
19.7		 3oezB-2xikA:
30.29
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.
3OHT_A_1N1A1000_1
(P38A)		 2y7j PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM
(Homo
sapiens) 		6 / 12 GLY A  31
VAL A  38
ALA A  51
LYS A  53
LEU A  81
ILE A  91
 B49  A1294 (-4.0A)
None
B49  A1294 (-3.2A)
None
None
B49  A1294 ( 4.6A)
 0.76A 3ohtA-2y7jA:
4.1		 3ohtA-2y7jA:
25.43
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.
3OHT_B_1N1B1000_1
(P38A)		 2y7j PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM
(Homo
sapiens) 		6 / 12 GLY A  31
VAL A  38
ALA A  51
LYS A  53
LEU A  81
GLY A 113
 B49  A1294 (-4.0A)
None
B49  A1294 (-3.2A)
None
None
B49  A1294 (-3.6A)
 0.91A 3ohtB-2y7jA:
19.5		 3ohtB-2y7jA:
25.43
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.
3OHT_B_1N1B1000_1
(P38A)		 2y7j PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM
(Homo
sapiens) 		6 / 12 VAL A  38
ALA A  51
LYS A  53
LEU A  81
ILE A  91
GLY A 113
 None
B49  A1294 (-3.2A)
None
None
B49  A1294 ( 4.6A)
B49  A1294 (-3.6A)
 0.94A 3ohtB-2y7jA:
19.5		 3ohtB-2y7jA:
25.43
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.
3OKX_B_SAMB201_0
(YAEB-LIKE PROTEIN
RPA0152)		 3qb5 TRANSLIN-ASSOCIATED
PROTEIN X
(Homo
sapiens) 		3 / 3 LYS K  68
ARG K 200
LYS K 241
 SO4  K 294 ( 2.6A)
SO4  K 293 (-3.4A)
None
 1.36A 3okxA-3qb5K:
undetectable		 3okxA-3qb5K:
20.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3Q07_A_WPPA300_1
(BETA-LACTAMASE)		 4c75 BETA-LACTAMASE
(synthetic
construct) 		7 / 12 LYS A  73
SER A 130
ASN A 132
ASN A 170
LYS A 234
GLY A 236
GLY A 238
 SO4  A 291 ( 4.6A)
SO4  A 291 (-2.8A)
None
None
SO4  A 291 (-3.4A)
NA  A 294 ( 3.2A)
None
 0.27A 3q07A-4c75A:
42.7		 3q07A-4c75A:
56.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3Q07_B_WPPB400_1
(BETA-LACTAMASE)		 4c75 BETA-LACTAMASE
(synthetic
construct) 		7 / 12 LYS A  73
SER A 130
ASN A 132
ASN A 170
LYS A 234
GLY A 236
GLY A 238
 SO4  A 291 ( 4.6A)
SO4  A 291 (-2.8A)
None
None
SO4  A 291 (-3.4A)
NA  A 294 ( 3.2A)
None
 0.35A 3q07B-4c75A:
42.7		 3q07B-4c75A:
56.65
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.
3QFX_A_CP6A602_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2xik SERINE/THREONINE
PROTEIN KINASE 25
(Homo
sapiens) 		5 / 12 ALA A 157
THR A 204
LEU A 208
ILE A 124
THR A  79
 J60  A1294 ( 4.2A)
None
None
None
J60  A1294 ( 4.2A)
 1.17A 3qfxA-2xikA:
undetectable		 3qfxA-2xikA:
24.01
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.
3QFX_B_CP6B702_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2xik SERINE/THREONINE
PROTEIN KINASE 25
(Homo
sapiens) 		5 / 12 ALA A 157
THR A 204
LEU A 208
ILE A 124
THR A  79
 J60  A1294 ( 4.2A)
None
None
None
J60  A1294 ( 4.2A)
 1.16A 3qfxB-2xikA:
undetectable		 3qfxB-2xikA:
24.01
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3QLG_A_1N1A601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		 2xik SERINE/THREONINE
PROTEIN KINASE 25
(Homo
sapiens) 		8 / 12 VAL A  34
ALA A  47
LYS A  49
GLU A  66
TYR A  97
GLY A 101
LEU A 147
ALA A 157
 J60  A1294 ( 4.9A)
J60  A1294 (-3.3A)
None
None
J60  A1294 (-4.5A)
J60  A1294 ( 3.8A)
J60  A1294 (-4.8A)
J60  A1294 ( 4.2A)
 0.69A 3qlgA-2xikA:
19.9		 3qlgA-2xikA:
30.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3QLG_B_1N1B601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		 2xik SERINE/THREONINE
PROTEIN KINASE 25
(Homo
sapiens) 		7 / 12 VAL A  34
ALA A  47
GLU A  66
TYR A  97
GLY A 101
LEU A 147
ALA A 157
 J60  A1294 ( 4.9A)
J60  A1294 (-3.3A)
None
J60  A1294 (-4.5A)
J60  A1294 ( 3.8A)
J60  A1294 (-4.8A)
J60  A1294 ( 4.2A)
 0.60A 3qlgB-2xikA:
20.6		 3qlgB-2xikA:
30.29
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.
3RAE_F_LFXF101_1
(DNA TOPOISOMERASE 4
SUBUNIT A
DNA TOPOISOMERASE 4
SUBUNIT B)		 1uv4 ARABINAN-ENDO
1,5-ALPHA-L-ARABINAS
E
(Bacillus
subtilis) 		3 / 4 SER A   8
GLY A 255
GLU A 135
 None
None
CA  A1294 (-2.9A)
 0.69A 3raeA-1uv4A:
undetectable
3raeC-1uv4A:
undetectable		 3raeA-1uv4A:
19.56
3raeC-1uv4A:
17.57
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.
3RGF_A_BAXA465_1
(CYCLIN-DEPENDENT
KINASE 8)		 2xik SERINE/THREONINE
PROTEIN KINASE 25
(Homo
sapiens) 		8 / 12 VAL A  34
ALA A  47
GLU A  66
LEU A  70
TYR A  97
LEU A 131
HIS A 138
ALA A 157
 J60  A1294 ( 4.9A)
J60  A1294 (-3.3A)
None
None
J60  A1294 (-4.5A)
None
None
J60  A1294 ( 4.2A)
 0.86A 3rgfA-2xikA:
18.4		 3rgfA-2xikA:
25.67
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.
3RGF_A_BAXA465_1
(CYCLIN-DEPENDENT
KINASE 8)		 2y7j PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM
(Homo
sapiens) 		8 / 12 VAL A  38
ALA A  51
GLU A  77
LEU A  81
ILE A  91
PHE A 107
LEU A 144
HIS A 151
 None
B49  A1294 (-3.2A)
None
None
B49  A1294 ( 4.6A)
B49  A1294 (-4.0A)
None
None
 0.76A 3rgfA-2y7jA:
24.0		 3rgfA-2y7jA:
25.11
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.
3RUK_D_AERD601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 2r3b YJEF-RELATED PROTEIN
(Enterococcus
faecalis) 		5 / 11 ILE A 262
ASP A 216
GLY A 220
ALA A 219
VAL A 185
 None
EDO  A 294 (-3.4A)
None
None
None
 1.19A 3rukD-2r3bA:
undetectable		 3rukD-2r3bA:
19.53
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.
3S68_A_SAMA228_1
(CATECHOL
O-METHYLTRANSFERASE)		 5nqf APICAL MEMBRANE
ANTIGEN 1
(Plasmodium
falciparum) 		5 / 12 ASN A 293
VAL A 294
MET A 224
ASN A 225
HIS A 220
 ASN  A 293 ( 0.6A)
VAL  A 294 ( 0.6A)
MET  A 224 ( 0.0A)
ASN  A 225 ( 0.6A)
HIS  A 220 ( 1.0A)
 1.48A 3s68A-5nqfA:
undetectable		 3s68A-5nqfA:
19.39
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.
3SAN_A_ZMRA901_1
(NEURAMINIDASE)		 3juu PORPHYRANASE B
(Zobellia
galactanivorans) 		5 / 12 ARG A  70
GLU A 256
GLU A 161
ASN A 183
TYR A 258
 GOL  A 294 (-3.3A)
GOL  A 294 (-2.7A)
GOL  A 294 (-3.1A)
None
None
 1.43A 3sanA-3juuA:
undetectable		 3sanA-3juuA:
19.40
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.
3SAN_B_ZMRB901_1
(NEURAMINIDASE)		 3juu PORPHYRANASE B
(Zobellia
galactanivorans) 		5 / 12 ARG A  70
GLU A 256
GLU A 161
ASN A 183
TYR A 258
 GOL  A 294 (-3.3A)
GOL  A 294 (-2.7A)
GOL  A 294 (-3.1A)
None
None
 1.44A 3sanB-3juuA:
undetectable		 3sanB-3juuA:
19.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3SH8_A_CEDA1_1
(BETA-LACTAMASE)		 4c75 BETA-LACTAMASE
(synthetic
construct) 		8 / 12 SER A  70
TYR A 105
SER A 130
ASN A 132
LYS A 234
THR A 235
GLY A 236
ARG A 244
 NA  A 294 ( 2.5A)
None
SO4  A 291 (-2.8A)
None
SO4  A 291 (-3.4A)
SO4  A 291 (-3.8A)
NA  A 294 ( 3.2A)
SO4  A 291 (-4.1A)
 0.47A 3sh8A-4c75A:
39.7		 3sh8A-4c75A:
56.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3SH8_B_CEDB1_1
(BETA-LACTAMASE)		 4c75 BETA-LACTAMASE
(synthetic
construct) 		7 / 12 SER A  70
LYS A  73
SER A 130
ASN A 132
LYS A 234
GLY A 236
ARG A 244
 NA  A 294 ( 2.5A)
SO4  A 291 ( 4.6A)
SO4  A 291 (-2.8A)
None
SO4  A 291 (-3.4A)
NA  A 294 ( 3.2A)
SO4  A 291 (-4.1A)
 0.31A 3sh8B-4c75A:
39.5		 3sh8B-4c75A:
56.65
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.
3SUE_D_SUED1201_2
(NS3 PROTEASE, NS4A
PROTEIN)		 1uzr RIBONUCLEOTIDE
REDUCTASE R2-2 SMALL
SUBUNIT
(Mycobacterium
tuberculosis) 		3 / 3 TYR A 235
LEU A 223
LYS A 224
 None
CIT  A1294 (-4.5A)
None
 0.36A 3sueD-1uzrA:
undetectable		 3sueD-1uzrA:
20.13
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.
3TEH_B_DAHB786_1
(PHENYLALANYL-TRNA
SYNTHETASE BETA
CHAIN)		 4ccw CARBOXYL ESTERASE NP
(Bacillus
subtilis) 		4 / 7 HIS A 274
LEU A 129
GLY A 242
ALA A 272
 VKC  A1294 ( 4.9A)
None
None
None
 0.95A 3tehB-4ccwA:
undetectable		 3tehB-4ccwA:
17.72
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.
3TI5_A_ZMRA1002_1
(NEURAMINIDASE)		 3juu PORPHYRANASE B
(Zobellia
galactanivorans) 		5 / 12 ARG A  70
GLU A 256
GLU A 161
ASN A 183
TYR A 258
 GOL  A 294 (-3.3A)
GOL  A 294 (-2.7A)
GOL  A 294 (-3.1A)
None
None
 1.42A 3ti5A-3juuA:
undetectable		 3ti5A-3juuA:
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.
3TI5_B_ZMRB1002_1
(NEURAMINIDASE)		 3juu PORPHYRANASE B
(Zobellia
galactanivorans) 		5 / 12 ARG A  70
GLU A 256
GLU A 161
ASN A 183
TYR A 258
 GOL  A 294 (-3.3A)
GOL  A 294 (-2.7A)
GOL  A 294 (-3.1A)
None
None
 1.43A 3ti5B-3juuA:
undetectable		 3ti5B-3juuA:
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.
3TIC_A_ZMRA1002_1
(NEURAMINIDASE)		 3juu PORPHYRANASE B
(Zobellia
galactanivorans) 		5 / 12 ARG A  70
GLU A 256
GLU A 161
ASN A 183
TYR A 258
 GOL  A 294 (-3.3A)
GOL  A 294 (-2.7A)
GOL  A 294 (-3.1A)
None
None
 1.45A 3ticA-3juuA:
undetectable		 3ticA-3juuA:
20.42
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.
3UG2_A_IREA1_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 2y7j PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM
(Homo
sapiens) 		9 / 12 VAL A  38
ALA A  51
LYS A  53
LEU A 105
LEU A 109
MET A 110
GLY A 113
ASP A 117
LEU A 160
 None
B49  A1294 (-3.2A)
None
None
B49  A1294 ( 4.7A)
None
B49  A1294 (-3.6A)
None
B49  A1294 (-4.4A)
 0.60A 3ug2A-2y7jA:
25.0		 3ug2A-2y7jA:
23.19
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.
3V5W_A_8PRA701_1
(G-PROTEIN COUPLED
RECEPTOR KINASE 2)		 2y7j PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM
(Homo
sapiens) 		7 / 12 ILE A  30
GLY A  33
VAL A  38
ALA A  51
LEU A 160
SER A 170
ASP A 171
 B49  A1294 (-3.9A)
None
None
B49  A1294 (-3.2A)
B49  A1294 (-4.4A)
B49  A1294 ( 4.9A)
B49  A1294 (-4.2A)
 1.05A 3v5wA-2y7jA:
10.9		 3v5wA-2y7jA:
19.63
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.
3V8V_A_SAMA801_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE L)		 2xnh DNA TOPOISOMERASE
2-BINDING PROTEIN 1
(Homo
sapiens) 		5 / 12 PRO A  95
MET A 130
GLY A 132
SER A 107
PRO A 100
 None
IOD  A1294 ( 4.0A)
None
None
IOD  A1294 ( 4.5A)
 1.18A 3v8vA-2xnhA:
undetectable		 3v8vA-2xnhA:
16.67
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.
3WZD_A_LEVA1201_1
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)		 2xik SERINE/THREONINE
PROTEIN KINASE 25
(Homo
sapiens) 		5 / 12 VAL A  34
ALA A  47
GLU A  66
LEU A  70
GLY A 101
 J60  A1294 ( 4.9A)
J60  A1294 (-3.3A)
None
None
J60  A1294 ( 3.8A)
 0.50A 3wzdA-2xikA:
18.7		 3wzdA-2xikA:
26.75
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)		 2xik SERINE/THREONINE
PROTEIN KINASE 25
(Homo
sapiens) 		7 / 12 VAL A  34
ALA A  47
GLU A  66
LEU A  70
GLY A 101
LEU A 131
HIS A 138
 J60  A1294 ( 4.9A)
J60  A1294 (-3.3A)
None
None
J60  A1294 ( 3.8A)
None
None
 0.51A 3wzeA-2xikA:
18.5		 3wzeA-2xikA:
26.75
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.
3ZBF_A_VGHA3000_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ROS)		 2y7j PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM
(Homo
sapiens) 		5 / 12 ALA A  51
LEU A 109
MET A 110
GLY A 113
LEU A 160
 B49  A1294 (-3.2A)
B49  A1294 ( 4.7A)
None
B49  A1294 (-3.6A)
B49  A1294 (-4.4A)
 0.33A 3zbfA-2y7jA:
25.6		 3zbfA-2y7jA:
24.31
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)		 2xik SERINE/THREONINE
PROTEIN KINASE 25
(Homo
sapiens) 		7 / 12 ALA A  47
GLU A  66
LEU A 131
HIS A 138
ARG A 139
LEU A 147
ALA A 157
 J60  A1294 (-3.3A)
None
None
None
TPO  A 174 ( 2.9A)
J60  A1294 (-4.8A)
J60  A1294 ( 4.2A)
 0.71A 3zosA-2xikA:
17.8		 3zosA-2xikA:
24.92
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_B_0LIB1000_1
(EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1)		 2xik SERINE/THREONINE
PROTEIN KINASE 25
(Homo
sapiens) 		7 / 12 ALA A  47
GLU A  66
LEU A 131
HIS A 138
ARG A 139
LEU A 147
ALA A 157
 J60  A1294 (-3.3A)
None
None
None
TPO  A 174 ( 2.9A)
J60  A1294 (-4.8A)
J60  A1294 ( 4.2A)
 0.76A 3zosB-2xikA:
17.9		 3zosB-2xikA:
24.92
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.
4A7B_A_HAEA1273_1
(COLLAGENASE 3)		 3b8z PROTEIN ADAMTS-5
(Homo
sapiens) 		4 / 6 HIS A 410
GLU A 411
HIS A 414
HIS A 420
 ZN  A 901 ( 3.2A)
294  A 801 (-2.7A)
ZN  A 901 ( 3.3A)
ZN  A 901 ( 3.3A)
 0.30A 4a7bA-3b8zA:
10.0		 4a7bA-3b8zA:
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.
4A7T_F_5FWF1001_1
(SUPEROXIDE DISMUTASE
[CU-ZN])		 5fly FERRICHROME-BINDING
PERIPLASMIC PROTEIN
(Staphylococcus
pseudintermedius) 		4 / 6 GLU A   4
LYS A  23
PRO A  22
LYS A   3
 CD  A1283 (-3.0A)
CL  A1294 (-3.3A)
None
None
 1.34A 4a7tF-5flyA:
undetectable		 4a7tF-5flyA:
20.36
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.
4AGC_A_AXIA2000_1
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)		 2xik SERINE/THREONINE
PROTEIN KINASE 25
(Homo
sapiens) 		6 / 12 VAL A  34
ALA A  47
GLU A  66
LEU A  70
GLY A 101
LEU A 147
 J60  A1294 ( 4.9A)
J60  A1294 (-3.3A)
None
None
J60  A1294 ( 3.8A)
J60  A1294 (-4.8A)
 0.55A 4agcA-2xikA:
17.8		 4agcA-2xikA:
27.08
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.
4AN2_A_EUIA1382_1
(DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 1)		 2y7j PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM
(Homo
sapiens) 		5 / 12 LEU A  81
ASP A 153
LYS A 155
ASN A 158
ASP A 171
 None
None
None
None
B49  A1294 (-4.2A)
 0.67A 4an2A-2y7jA:
25.1		 4an2A-2y7jA:
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.
4ASD_A_BAXA1500_1
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)		 2xik SERINE/THREONINE
PROTEIN KINASE 25
(Homo
sapiens) 		7 / 12 VAL A  34
ALA A  47
GLU A  66
LEU A  70
GLY A 101
LEU A 131
HIS A 138
 J60  A1294 ( 4.9A)
J60  A1294 (-3.3A)
None
None
J60  A1294 ( 3.8A)
None
None
 0.56A 4asdA-2xikA:
23.6		 4asdA-2xikA:
27.08
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.
4AZT_A_SAMA1472_1
(METHYLTRANSFERASE
WBDD)		 4ac1 ENDO-N-ACETYL-BETA-D
-GLUCOSAMINIDASE
(Trichoderma
reesei) 		3 / 3 GLN X 132
ASP X 129
GLN X 193
 None
ACT  X1288 (-2.9A)
ZN  X1294 ( 2.5A)
 0.86A 4aztA-4ac1X:
undetectable		 4aztA-4ac1X:
18.74
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.
4AZV_A_SAMA1474_1
(WBDD)		 4ac1 ENDO-N-ACETYL-BETA-D
-GLUCOSAMINIDASE
(Trichoderma
reesei) 		4 / 6 GLN X 132
ASP X 129
GLN X 193
GLU X 260
 None
ACT  X1288 (-2.9A)
ZN  X1294 ( 2.5A)
None
 1.49A 4azvA-4ac1X:
undetectable		 4azvA-4ac1X:
18.74
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.
4B7N_A_ZMRA601_1
(NEURAMINIDASE)		 3juu PORPHYRANASE B
(Zobellia
galactanivorans) 		5 / 12 ARG A  70
GLU A 256
GLU A 161
ASN A 183
TYR A 258
 GOL  A 294 (-3.3A)
GOL  A 294 (-2.7A)
GOL  A 294 (-3.1A)
None
None
 1.38A 4b7nA-3juuA:
undetectable		 4b7nA-3juuA:
19.37
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.
4B7Q_C_ZMRC601_1
(NEURAMINIDASE)		 3juu PORPHYRANASE B
(Zobellia
galactanivorans) 		5 / 12 ARG A  70
GLU A 256
GLU A 161
ASN A 183
TYR A 258
 GOL  A 294 (-3.3A)
GOL  A 294 (-2.7A)
GOL  A 294 (-3.1A)
None
None
 1.41A 4b7qC-3juuA:
undetectable		 4b7qC-3juuA:
18.86
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.
4B7Q_D_ZMRD601_1
(NEURAMINIDASE)		 3juu PORPHYRANASE B
(Zobellia
galactanivorans) 		5 / 12 ARG A  70
GLU A 256
GLU A 161
ASN A 183
TYR A 258
 GOL  A 294 (-3.3A)
GOL  A 294 (-2.7A)
GOL  A 294 (-3.1A)
None
None
 1.42A 4b7qD-3juuA:
undetectable		 4b7qD-3juuA:
18.86
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.
4C8B_A_0LIA1000_1
(RECEPTOR-INTERACTING
SERINE/THREONINE-PRO
TEIN KINASE 2)		 2xik SERINE/THREONINE
PROTEIN KINASE 25
(Homo
sapiens) 		7 / 12 ALA A  47
GLU A  66
LEU A  70
ILE A  93
HIS A 138
LEU A 147
ALA A 157
 J60  A1294 (-3.3A)
None
None
None
None
J60  A1294 (-4.8A)
J60  A1294 ( 4.2A)
 0.67A 4c8bA-2xikA:
17.9		 4c8bA-2xikA:
26.79
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.
4C8B_A_0LIA1000_1
(RECEPTOR-INTERACTING
SERINE/THREONINE-PRO
TEIN KINASE 2)		 2xik SERINE/THREONINE
PROTEIN KINASE 25
(Homo
sapiens) 		7 / 12 ALA A  47
LYS A  49
GLU A  66
LEU A  70
ILE A  93
HIS A 138
LEU A 147
 J60  A1294 (-3.3A)
None
None
None
None
None
J60  A1294 (-4.8A)
 0.91A 4c8bA-2xikA:
17.9		 4c8bA-2xikA:
26.79
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.
4C8B_B_0LIB1000_1
(RECEPTOR-INTERACTING
SERINE/THREONINE-PRO
TEIN KINASE 2)		 2xik SERINE/THREONINE
PROTEIN KINASE 25
(Homo
sapiens) 		7 / 12 ALA A  47
GLU A  66
LEU A  70
ILE A  78
HIS A 138
LEU A 147
ALA A 157
 J60  A1294 (-3.3A)
None
None
None
None
J60  A1294 (-4.8A)
J60  A1294 ( 4.2A)
 0.60A 4c8bB-2xikA:
17.9		 4c8bB-2xikA:
26.79
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.
4C8B_B_0LIB1000_1
(RECEPTOR-INTERACTING
SERINE/THREONINE-PRO
TEIN KINASE 2)		 2xik SERINE/THREONINE
PROTEIN KINASE 25
(Homo
sapiens) 		7 / 12 ALA A  47
LYS A  49
GLU A  66
LEU A  70
HIS A 138
LEU A 147
ALA A 157
 J60  A1294 (-3.3A)
None
None
None
None
J60  A1294 (-4.8A)
J60  A1294 ( 4.2A)
 0.81A 4c8bB-2xikA:
17.9		 4c8bB-2xikA:
26.79
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.
4CKI_A_ADNA2022_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE RECEPTOR RET)		 2xik SERINE/THREONINE
PROTEIN KINASE 25
(Homo
sapiens) 		8 / 11 GLY A  27
GLY A  29
VAL A  34
ALA A  47
TYR A  97
GLY A 101
SER A 102
LEU A 147
 J60  A1294 ( 4.1A)
J60  A1294 ( 4.5A)
J60  A1294 ( 4.9A)
J60  A1294 (-3.3A)
J60  A1294 (-4.5A)
J60  A1294 ( 3.8A)
None
J60  A1294 (-4.8A)
 0.90A 4ckiA-2xikA:
22.9		 4ckiA-2xikA:
25.60
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.
4CPZ_B_ZMRB1471_1
(NEURAMINIDASE)		 3juu PORPHYRANASE B
(Zobellia
galactanivorans) 		5 / 12 ARG A  70
GLU A 256
GLU A 161
ASN A 183
TYR A 258
 GOL  A 294 (-3.3A)
GOL  A 294 (-2.7A)
GOL  A 294 (-3.1A)
None
None
 1.41A 4cpzB-3juuA:
undetectable		 4cpzB-3juuA:
20.51
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.
4DJE_B_C2FB302_0
(5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE)		 2y5j DIHYDROPTEROATE
SYNTHASE
(Burkholderia
cenocepacia) 		6 / 12 ASP A  62
ASP A 101
ASN A 120
ASP A 191
GLY A 229
SER A 231
 None
None
None
None
None
EDO  A1294 (-2.6A)
 0.74A 4djeB-2y5jA:
20.3		 4djeB-2y5jA:
22.48
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.
4DJF_B_C2FB300_0
(5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE)		 2y5j DIHYDROPTEROATE
SYNTHASE
(Burkholderia
cenocepacia) 		5 / 12 ASP A  62
ASP A 101
ASN A 120
GLY A 229
SER A 231
 None
None
None
None
EDO  A1294 (-2.6A)
 0.79A 4djfB-2y5jA:
17.6		 4djfB-2y5jA:
22.48
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.
4DUB_B_LDPB501_1
(CYTOCHROME P450 BM3
VARIANT 9D7)		 3r9r PHOSPHORIBOSYLAMINOI
MIDAZOLE-SUCCINOCARB
OXAMIDE SYNTHASE
(Mycobacteroides
abscessus) 		4 / 6 PHE A 289
ALA A  55
GLY A 294
PRO A 295
 PHE  A 289 ( 1.3A)
ALA  A  55 ( 0.0A)
GLY  A 294 ( 0.0A)
PRO  A 295 ( 1.1A)
 0.87A 4dubB-3r9rA:
undetectable		 4dubB-3r9rA:
21.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EUZ_A_MEMA401_1
(CARBAPENEM-HYDROLIZI
NG BETA-LACTAMASE
SFC-1)		 4c75 BETA-LACTAMASE
(synthetic
construct) 		9 / 12 LYS A  73
SER A 130
ASN A 132
ASN A 170
THR A 216
LYS A 234
THR A 235
GLY A 236
THR A 237
 SO4  A 291 ( 4.6A)
SO4  A 291 (-2.8A)
None
None
SO4  A 291 ( 4.1A)
SO4  A 291 (-3.4A)
SO4  A 291 (-3.8A)
NA  A 294 ( 3.2A)
SO4  A 291 ( 3.4A)
 0.48A 4euzA-4c75A:
41.4		 4euzA-4c75A:
52.75
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.
4EVR_A_BEZA401_0
(PUTATIVE ABC
TRANSPORTER SUBUNIT,
SUBSTRATE-BINDING
COMPONENT)		 4ccw CARBOXYL ESTERASE NP
(Bacillus
subtilis) 		5 / 11 VAL A 275
SER A 130
PHE A 182
ALA A  64
PHE A 201
 None
VKC  A1294 ( 3.8A)
VKC  A1294 (-4.5A)
VKC  A1294 (-3.4A)
None
 1.30A 4evrA-4ccwA:
3.2		 4evrA-4ccwA:
22.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FH2_A_0RNA303_1
(BETA-LACTAMASE SHV-1)		 4c75 BETA-LACTAMASE
(synthetic
construct) 		7 / 10 TYR A 105
SER A 130
ASN A 132
LYS A 234
THR A 235
GLY A 236
ARG A 244
 None
SO4  A 291 (-2.8A)
None
SO4  A 291 (-3.4A)
SO4  A 291 (-3.8A)
NA  A 294 ( 3.2A)
SO4  A 291 (-4.1A)
 0.58A 4fh2A-4c75A:
38.4		 4fh2A-4c75A:
55.09
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.
4I22_A_IREA9001_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 2y7j PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM
(Homo
sapiens) 		8 / 12 GLY A  31
VAL A  38
ALA A  51
LYS A  53
LEU A 105
GLY A 113
ASP A 117
LEU A 160
 B49  A1294 (-4.0A)
None
B49  A1294 (-3.2A)
None
None
B49  A1294 (-3.6A)
None
B49  A1294 (-4.4A)
 0.66A 4i22A-2y7jA:
22.2		 4i22A-2y7jA:
20.96
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.
4I41_A_MIXA500_1
(SERINE/THREONINE-PRO
TEIN KINASE PIM-1)		 2xik SERINE/THREONINE
PROTEIN KINASE 25
(Homo
sapiens) 		7 / 12 VAL A  34
ALA A  47
ASP A 140
LYS A 142
ASN A 145
LEU A 147
ASP A 158
 J60  A1294 ( 4.9A)
J60  A1294 (-3.3A)
None
None
None
J60  A1294 (-4.8A)
J60  A1294 ( 4.6A)
 0.56A 4i41A-2xikA:
29.0		 4i41A-2xikA:
26.54
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.
4I41_A_MIXA500_1
(SERINE/THREONINE-PRO
TEIN KINASE PIM-1)		 2y7j PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM
(Homo
sapiens) 		8 / 12 VAL A  38
ALA A  51
ILE A  91
ASP A 117
ASP A 153
LYS A 155
ASN A 158
LEU A 160
 None
B49  A1294 (-3.2A)
B49  A1294 ( 4.6A)
None
None
None
None
B49  A1294 (-4.4A)
 0.86A 4i41A-2y7jA:
29.7		 4i41A-2y7jA:
25.72
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.
4II8_A_010A210_0
(LYSOZYME C)		 5a3c SIR2 FAMILY PROTEIN
(Streptococcus
pyogenes) 		4 / 7 ASP A 120
ASN A 118
ILE A 133
TRP A 124
 NAD  A1294 (-3.9A)
NAD  A1294 (-3.9A)
None
None
 1.26A 4ii8A-5a3cA:
undetectable		 4ii8A-5a3cA:
16.98
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.
4KM0_A_CP6A201_1
(DIHYDROFOLATE
REDUCTASE)		 2xik SERINE/THREONINE
PROTEIN KINASE 25
(Homo
sapiens) 		5 / 10 ALA A 157
THR A 204
LEU A 208
ILE A 124
THR A  79
 J60  A1294 ( 4.2A)
None
None
None
J60  A1294 ( 4.2A)
 1.05A 4km0A-2xikA:
undetectable		 4km0A-2xikA:
19.86
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.
4KM0_B_CP6B201_1
(DIHYDROFOLATE
REDUCTASE)		 2xik SERINE/THREONINE
PROTEIN KINASE 25
(Homo
sapiens) 		5 / 12 ALA A 157
THR A 204
LEU A 208
ILE A 124
THR A  79
 J60  A1294 ( 4.2A)
None
None
None
J60  A1294 ( 4.2A)
 1.03A 4km0B-2xikA:
undetectable		 4km0B-2xikA:
19.86
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.
4KOE_F_TR6F101_1
(DNA TOPOISOMERASE 4
SUBUNIT A
DNA TOPOISOMERASE 4
SUBUNIT B
E-SITE DNA2)		 2iss PYRIDOXAL
BIOSYNTHESIS LYASE
PDXS
(Thermotoga
maritima) 		4 / 6 SER A 105
ARG A 148
GLY A 215
GLY A 154
 5RP  A 294 ( 4.7A)
5RP  A 294 (-3.7A)
5RP  A 294 (-3.7A)
5RP  A 294 (-3.4A)
 1.05A 4koeA-2issA:
undetectable
4koeB-2issA:
undetectable
4koeC-2issA:
undetectable		 4koeA-2issA:
21.37
4koeB-2issA:
21.37
4koeC-2issA:
27.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4KS8_A_B49A701_1
(SERINE/THREONINE-PRO
TEIN KINASE PAK 6)		 2xik SERINE/THREONINE
PROTEIN KINASE 25
(Homo
sapiens) 		5 / 10 ALA A  47
MET A  95
LEU A  98
GLY A 101
LEU A 147
 J60  A1294 (-3.3A)
J60  A1294 ( 3.8A)
J60  A1294 (-4.6A)
J60  A1294 ( 3.8A)
J60  A1294 (-4.8A)
 0.40A 4ks8A-2xikA:
38.7		 4ks8A-2xikA:
38.51
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.
4KS8_A_B49A701_1
(SERINE/THREONINE-PRO
TEIN KINASE PAK 6)		 2y7j PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM
(Homo
sapiens) 		6 / 10 ILE A  30
ALA A  51
GLY A 113
LEU A 160
SER A 170
ASP A 171
 B49  A1294 (-3.9A)
B49  A1294 (-3.2A)
B49  A1294 (-3.6A)
B49  A1294 (-4.4A)
B49  A1294 ( 4.9A)
B49  A1294 (-4.2A)
 0.72A 4ks8A-2y7jA:
30.6		 4ks8A-2y7jA:
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.
4L9I_A_8PRA601_1
(RHODOPSIN KINASE)		 2xik SERINE/THREONINE
PROTEIN KINASE 25
(Homo
sapiens) 		4 / 7 VAL A  34
ALA A  47
MET A  95
LEU A 147
 J60  A1294 ( 4.9A)
J60  A1294 (-3.3A)
J60  A1294 ( 3.8A)
J60  A1294 (-4.8A)
 0.39A 4l9iA-2xikA:
24.9		 4l9iA-2xikA:
21.93
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.
4L9I_A_8PRA601_1
(RHODOPSIN KINASE)		 2y7j PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM
(Homo
sapiens) 		4 / 7 VAL A  38
ALA A  51
MET A 110
LEU A 160
 None
B49  A1294 (-3.2A)
None
B49  A1294 (-4.4A)
 0.59A 4l9iA-2y7jA:
12.0		 4l9iA-2y7jA:
24.28
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.
4L9I_B_8PRB601_1
(RHODOPSIN KINASE)		 2y7j PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM
(Homo
sapiens) 		6 / 8 GLY A  33
VAL A  38
ALA A  51
LYS A  53
MET A 110
LEU A 160
 None
None
B49  A1294 (-3.2A)
None
None
B49  A1294 (-4.4A)
 0.89A 4l9iB-2y7jA:
28.3		 4l9iB-2y7jA:
24.28
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.
4MXO_A_DB8A601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		 2xik SERINE/THREONINE
PROTEIN KINASE 25
(Homo
sapiens) 		8 / 12 VAL A  34
ALA A  47
LYS A  49
GLU A  66
ILE A  93
TYR A  97
GLY A 101
ASP A 158
 J60  A1294 ( 4.9A)
J60  A1294 (-3.3A)
None
None
None
J60  A1294 (-4.5A)
J60  A1294 ( 3.8A)
J60  A1294 ( 4.6A)
 0.78A 4mxoA-2xikA:
21.0		 4mxoA-2xikA:
29.47
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.
4MXO_B_DB8B601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		 2xik SERINE/THREONINE
PROTEIN KINASE 25
(Homo
sapiens) 		8 / 12 VAL A  34
ALA A  47
LYS A  49
GLU A  66
ILE A  93
TYR A  97
LEU A 147
ASP A 158
 J60  A1294 ( 4.9A)
J60  A1294 (-3.3A)
None
None
None
J60  A1294 (-4.5A)
J60  A1294 (-4.8A)
J60  A1294 ( 4.6A)
 0.80A 4mxoB-2xikA:
21.1		 4mxoB-2xikA:
29.47
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.
4MXO_B_DB8B601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		 2xik SERINE/THREONINE
PROTEIN KINASE 25
(Homo
sapiens) 		8 / 12 VAL A  34
ALA A  47
LYS A  49
ILE A  93
TYR A  97
GLY A 101
LEU A 147
ASP A 158
 J60  A1294 ( 4.9A)
J60  A1294 (-3.3A)
None
None
J60  A1294 (-4.5A)
J60  A1294 ( 3.8A)
J60  A1294 (-4.8A)
J60  A1294 ( 4.6A)
 0.76A 4mxoB-2xikA:
21.1		 4mxoB-2xikA:
29.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4MXY_A_DB8A601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		 2xik SERINE/THREONINE
PROTEIN KINASE 25
(Homo
sapiens) 		10 / 12 VAL A  34
ALA A  47
LYS A  49
GLU A  66
ILE A  93
MET A  95
TYR A  97
GLY A 101
LEU A 147
ASP A 158
 J60  A1294 ( 4.9A)
J60  A1294 (-3.3A)
None
None
None
J60  A1294 ( 3.8A)
J60  A1294 (-4.5A)
J60  A1294 ( 3.8A)
J60  A1294 (-4.8A)
J60  A1294 ( 4.6A)
 0.83A 4mxyA-2xikA:
20.3		 4mxyA-2xikA:
30.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4MXY_B_DB8B601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		 2xik SERINE/THREONINE
PROTEIN KINASE 25
(Homo
sapiens) 		8 / 12 ALA A  47
LYS A  49
MET A  95
TYR A  97
GLY A 101
LEU A 147
ALA A 157
ASP A 158
 J60  A1294 (-3.3A)
None
J60  A1294 ( 3.8A)
J60  A1294 (-4.5A)
J60  A1294 ( 3.8A)
J60  A1294 (-4.8A)
J60  A1294 ( 4.2A)
J60  A1294 ( 4.6A)
 0.64A 4mxyB-2xikA:
20.5		 4mxyB-2xikA:
30.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4MXY_B_DB8B601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		 2xik SERINE/THREONINE
PROTEIN KINASE 25
(Homo
sapiens) 		8 / 12 VAL A  34
ALA A  47
LYS A  49
TYR A  97
GLY A 101
LEU A 147
ALA A 157
ASP A 158
 J60  A1294 ( 4.9A)
J60  A1294 (-3.3A)
None
J60  A1294 (-4.5A)
J60  A1294 ( 3.8A)
J60  A1294 (-4.8A)
J60  A1294 ( 4.2A)
J60  A1294 ( 4.6A)
 0.71A 4mxyB-2xikA:
20.5		 4mxyB-2xikA:
30.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4MXZ_A_DB8A601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		 2xik SERINE/THREONINE
PROTEIN KINASE 25
(Homo
sapiens) 		10 / 12 VAL A  34
ALA A  47
LYS A  49
GLU A  66
ILE A  93
MET A  95
TYR A  97
GLY A 101
LEU A 147
ASP A 158
 J60  A1294 ( 4.9A)
J60  A1294 (-3.3A)
None
None
None
J60  A1294 ( 3.8A)
J60  A1294 (-4.5A)
J60  A1294 ( 3.8A)
J60  A1294 (-4.8A)
J60  A1294 ( 4.6A)
 0.83A 4mxzA-2xikA:
20.3		 4mxzA-2xikA:
30.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4MXZ_B_DB8B601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		 2xik SERINE/THREONINE
PROTEIN KINASE 25
(Homo
sapiens) 		8 / 12 ALA A  47
LYS A  49
MET A  95
TYR A  97
GLY A 101
LEU A 147
ALA A 157
ASP A 158
 J60  A1294 (-3.3A)
None
J60  A1294 ( 3.8A)
J60  A1294 (-4.5A)
J60  A1294 ( 3.8A)
J60  A1294 (-4.8A)
J60  A1294 ( 4.2A)
J60  A1294 ( 4.6A)
 0.64A 4mxzB-2xikA:
20.5		 4mxzB-2xikA:
30.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4MXZ_B_DB8B601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		 2xik SERINE/THREONINE
PROTEIN KINASE 25
(Homo
sapiens) 		8 / 12 VAL A  34
ALA A  47
LYS A  49
TYR A  97
GLY A 101
LEU A 147
ALA A 157
ASP A 158
 J60  A1294 ( 4.9A)
J60  A1294 (-3.3A)
None
J60  A1294 (-4.5A)
J60  A1294 ( 3.8A)
J60  A1294 (-4.8A)
J60  A1294 ( 4.2A)
J60  A1294 ( 4.6A)
 0.71A 4mxzB-2xikA:
20.5		 4mxzB-2xikA:
30.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4N9K_A_CEDA301_1
(BETA-LACTAMASE)		 4c75 BETA-LACTAMASE
(synthetic
construct) 		9 / 12 SER A  70
TYR A 105
SER A 130
ASN A 132
ASN A 170
LYS A 234
THR A 235
GLY A 236
ARG A 244
 NA  A 294 ( 2.5A)
None
SO4  A 291 (-2.8A)
None
None
SO4  A 291 (-3.4A)
SO4  A 291 (-3.8A)
NA  A 294 ( 3.2A)
SO4  A 291 (-4.1A)
 0.39A 4n9kA-4c75A:
41.1		 4n9kA-4c75A:
56.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4N9K_B_CEDB301_1
(BETA-LACTAMASE)		 4c75 BETA-LACTAMASE
(synthetic
construct) 		8 / 12 SER A  70
SER A 130
ASN A 132
ASN A 170
LYS A 234
THR A 235
GLY A 236
ARG A 244
 NA  A 294 ( 2.5A)
SO4  A 291 (-2.8A)
None
None
SO4  A 291 (-3.4A)
SO4  A 291 (-3.8A)
NA  A 294 ( 3.2A)
SO4  A 291 (-4.1A)
 0.26A 4n9kB-4c75A:
41.1		 4n9kB-4c75A:
56.23
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.
4NC3_A_ERMA1202_1
(CHIMERA PROTEIN OF
HUMAN
5-HYDROXYTRYPTAMINE
RECEPTOR 2B AND E.
COLI SOLUBLE
CYTOCHROME B562)		 2y5j DIHYDROPTEROATE
SYNTHASE
(Burkholderia
cenocepacia) 		5 / 12 LEU A 246
VAL A 249
SER A 252
ALA A 274
LEU A  27
 None
None
EDO  A1294 (-3.4A)
None
None
 1.29A 4nc3A-2y5jA:
undetectable		 4nc3A-2y5jA:
22.77
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.
4O0W_A_ADNA501_1
(AURORA KINASE A)		 2y7j PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM
(Homo
sapiens) 		4 / 6 GLY A  31
VAL A  38
ALA A  51
LEU A 160
 B49  A1294 (-4.0A)
None
B49  A1294 (-3.2A)
B49  A1294 (-4.4A)
 0.24A 4o0wA-2y7jA:
31.2		 4o0wA-2y7jA:
26.56
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.
4O1E_A_C2FA3000_1
(DIHYDROPTEROATE
SYNTHASE DHPS)		 2qv2 INOSITOL
POLYPHOSPHATE
5-PHOSPHATASE OCRL-1
(Homo
sapiens) 		3 / 3 LYS A 188
ASN A 294
ASP A 184
 LYS  A 188 ( 0.0A)
ASN  A 294 ( 0.6A)
ASP  A 184 ( 0.5A)
 0.79A 4o1eA-2qv2A:
undetectable		 4o1eA-2qv2A:
21.85
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.
4OGR_A_ADNA401_1
(CYCLIN-DEPENDENT
KINASE 9)		 2xik SERINE/THREONINE
PROTEIN KINASE 25
(Homo
sapiens) 		6 / 8 GLY A  29
VAL A  34
ALA A  47
ASN A 145
LEU A 147
ASP A 158
 J60  A1294 ( 4.5A)
J60  A1294 ( 4.9A)
J60  A1294 (-3.3A)
None
J60  A1294 (-4.8A)
J60  A1294 ( 4.6A)
 0.61A 4ogrA-2xikA:
30.8		 4ogrA-2xikA:
28.57
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.
4OGR_E_ADNE401_1
(CYCLIN-DEPENDENT
KINASE 9)		 2xik SERINE/THREONINE
PROTEIN KINASE 25
(Homo
sapiens) 		5 / 7 GLY A  27
ALA A  47
ASN A 145
LEU A 147
ASP A 158
 J60  A1294 ( 4.1A)
J60  A1294 (-3.3A)
None
J60  A1294 (-4.8A)
J60  A1294 ( 4.6A)
 0.91A 4ogrE-2xikA:
29.5		 4ogrE-2xikA:
28.57
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.
4OGR_I_ADNI401_1
(CYCLIN-DEPENDENT
KINASE 9)		 2xik SERINE/THREONINE
PROTEIN KINASE 25
(Homo
sapiens) 		6 / 9 GLY A  29
VAL A  34
ALA A  47
ASN A 145
LEU A 147
ASP A 158
 J60  A1294 ( 4.5A)
J60  A1294 ( 4.9A)
J60  A1294 (-3.3A)
None
J60  A1294 (-4.8A)
J60  A1294 ( 4.6A)
 0.62A 4ogrI-2xikA:
21.7		 4ogrI-2xikA:
28.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4PM5_A_CE3A301_1
(BETA-LACTAMASE
CTX-M-14)		 4c75 BETA-LACTAMASE
(synthetic
construct) 		9 / 12 TYR A 105
SER A 130
ASN A 132
ASN A 170
THR A 216
LYS A 234
THR A 235
GLY A 236
GLY A 238
 None
SO4  A 291 (-2.8A)
None
None
SO4  A 291 ( 4.1A)
SO4  A 291 (-3.4A)
SO4  A 291 (-3.8A)
NA  A 294 ( 3.2A)
None
 0.65A 4pm5A-4c75A:
42.7		 4pm5A-4c75A:
57.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4PM7_A_CE3A301_1
(BETA-LACTAMASE
CTX-M-14)		 4c75 BETA-LACTAMASE
(synthetic
construct) 		9 / 12 LYS A  73
TYR A 105
SER A 130
ASN A 132
ASN A 170
THR A 216
LYS A 234
GLY A 236
GLY A 238
 SO4  A 291 ( 4.6A)
None
SO4  A 291 (-2.8A)
None
None
SO4  A 291 ( 4.1A)
SO4  A 291 (-3.4A)
NA  A 294 ( 3.2A)
None
 0.68A 4pm7A-4c75A:
42.7		 4pm7A-4c75A:
57.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4PM9_A_CE3A301_1
(BETA-LACTAMASE
CTX-M-14)		 4c75 BETA-LACTAMASE
(synthetic
construct) 		9 / 12 TYR A 105
SER A 130
ASN A 132
ASN A 170
THR A 216
LYS A 234
THR A 235
GLY A 236
GLY A 238
 None
SO4  A 291 (-2.8A)
None
None
SO4  A 291 ( 4.1A)
SO4  A 291 (-3.4A)
SO4  A 291 (-3.8A)
NA  A 294 ( 3.2A)
None
 0.62A 4pm9A-4c75A:
42.7		 4pm9A-4c75A:
57.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QMN_A_DB8A401_1
(SERINE/THREONINE-PRO
TEIN KINASE 24)		 2xik SERINE/THREONINE
PROTEIN KINASE 25
(Homo
sapiens) 		9 / 12 ALA A  47
LYS A  49
GLU A  66
THR A  79
ILE A  93
TYR A  97
LEU A 147
ALA A 157
ASP A 158
 J60  A1294 (-3.3A)
None
None
J60  A1294 ( 4.2A)
None
J60  A1294 (-4.5A)
J60  A1294 (-4.8A)
J60  A1294 ( 4.2A)
J60  A1294 ( 4.6A)
 0.62A 4qmnA-2xikA:
35.8		 4qmnA-2xikA:
84.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QMN_A_DB8A401_1
(SERINE/THREONINE-PRO
TEIN KINASE 24)		 2xik SERINE/THREONINE
PROTEIN KINASE 25
(Homo
sapiens) 		7 / 12 ALA A  47
LYS A  49
ILE A  93
MET A  95
LEU A 147
ALA A 157
LYS A 288
 J60  A1294 (-3.3A)
None
None
J60  A1294 ( 3.8A)
J60  A1294 (-4.8A)
J60  A1294 ( 4.2A)
None
 1.40A 4qmnA-2xikA:
35.8		 4qmnA-2xikA:
84.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QMN_A_DB8A401_1
(SERINE/THREONINE-PRO
TEIN KINASE 24)		 2xik SERINE/THREONINE
PROTEIN KINASE 25
(Homo
sapiens) 		8 / 12 ALA A  47
LYS A  49
THR A  79
ILE A  93
MET A  95
TYR A  97
LEU A 147
ALA A 157
 J60  A1294 (-3.3A)
None
J60  A1294 ( 4.2A)
None
J60  A1294 ( 3.8A)
J60  A1294 (-4.5A)
J60  A1294 (-4.8A)
J60  A1294 ( 4.2A)
 0.65A 4qmnA-2xikA:
35.8		 4qmnA-2xikA:
84.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QMS_A_1N1A401_1
(SERINE/THREONINE-PRO
TEIN KINASE 24)		 2xik SERINE/THREONINE
PROTEIN KINASE 25
(Homo
sapiens) 		8 / 11 ALA A  47
LYS A  49
GLU A  66
ILE A  93
TYR A  97
LEU A  98
LEU A 147
ASP A 158
 J60  A1294 (-3.3A)
None
None
None
J60  A1294 (-4.5A)
J60  A1294 (-4.6A)
J60  A1294 (-4.8A)
J60  A1294 ( 4.6A)
 0.63A 4qmsA-2xikA:
35.8		 4qmsA-2xikA:
84.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QMS_A_1N1A401_1
(SERINE/THREONINE-PRO
TEIN KINASE 24)		 2xik SERINE/THREONINE
PROTEIN KINASE 25
(Homo
sapiens) 		8 / 11 ALA A  47
LYS A  49
ILE A  93
MET A  95
TYR A  97
LEU A  98
LEU A 147
ASP A 158
 J60  A1294 (-3.3A)
None
None
J60  A1294 ( 3.8A)
J60  A1294 (-4.5A)
J60  A1294 (-4.6A)
J60  A1294 (-4.8A)
J60  A1294 ( 4.6A)
 0.69A 4qmsA-2xikA:
35.8		 4qmsA-2xikA:
84.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QMZ_A_B49A401_1
(SERINE/THREONINE-PRO
TEIN KINASE 24)		 2xik SERINE/THREONINE
PROTEIN KINASE 25
(Homo
sapiens) 		10 / 12 GLY A  27
VAL A  34
ALA A  47
THR A  79
MET A  95
TYR A  97
LEU A  98
GLY A  99
LEU A 147
TYR A 287
 J60  A1294 ( 4.1A)
J60  A1294 ( 4.9A)
J60  A1294 (-3.3A)
J60  A1294 ( 4.2A)
J60  A1294 ( 3.8A)
J60  A1294 (-4.5A)
J60  A1294 (-4.6A)
J60  A1294 ( 3.7A)
J60  A1294 (-4.8A)
None
 0.55A 4qmzA-2xikA:
35.7		 4qmzA-2xikA:
84.11
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.
4QRC_A_0LIA802_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 4)		 2xik SERINE/THREONINE
PROTEIN KINASE 25
(Homo
sapiens) 		5 / 12 ALA A  47
GLU A  66
LEU A 131
ARG A 139
ALA A 157
 J60  A1294 (-3.3A)
None
None
TPO  A 174 ( 2.9A)
J60  A1294 ( 4.2A)
 0.85A 4qrcA-2xikA:
18.7		 4qrcA-2xikA:
26.38
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.
4QVV_K_BO2K301_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)		 5a3c SIR2 FAMILY PROTEIN
(Streptococcus
pyogenes) 		4 / 8 THR A 116
GLY A  35
GLY A 229
VAL A 230
 None
NAD  A1294 (-3.3A)
NAD  A1294 (-3.4A)
NAD  A1294 (-3.8A)
 0.70A 4qvvK-5a3cA:
undetectable
4qvvL-5a3cA:
undetectable		 4qvvK-5a3cA:
18.90
4qvvL-5a3cA:
21.70
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.
4QVV_Y_BO2Y301_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)		 5a3c SIR2 FAMILY PROTEIN
(Streptococcus
pyogenes) 		4 / 8 THR A 116
GLY A  35
GLY A 229
VAL A 230
 None
NAD  A1294 (-3.3A)
NAD  A1294 (-3.4A)
NAD  A1294 (-3.8A)
 0.70A 4qvvY-5a3cA:
undetectable
4qvvZ-5a3cA:
undetectable		 4qvvY-5a3cA:
18.90
4qvvZ-5a3cA:
21.70
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.
4RZ7_A_1E8A901_1
(CGMP-DEPENDENT
PROTEIN KINASE,
PUTATIVE)		 2y7j PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM
(Homo
sapiens) 		6 / 10 ILE A  30
ALA A  51
LYS A  53
ILE A  91
LEU A 109
LEU A 160
 B49  A1294 (-3.9A)
B49  A1294 (-3.2A)
None
B49  A1294 ( 4.6A)
B49  A1294 ( 4.7A)
B49  A1294 (-4.4A)
 0.60A 4rz7A-2y7jA:
11.7		 4rz7A-2y7jA:
19.64
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.
4TWP_A_AXIA601_1
(TYROSINE-PROTEIN
KINASE ABL1)		 2xik SERINE/THREONINE
PROTEIN KINASE 25
(Homo
sapiens) 		8 / 12 VAL A  34
ALA A  47
LYS A  49
GLY A 101
ASN A 145
LEU A 147
ALA A 157
ASP A 158
 J60  A1294 ( 4.9A)
J60  A1294 (-3.3A)
None
J60  A1294 ( 3.8A)
None
J60  A1294 (-4.8A)
J60  A1294 ( 4.2A)
J60  A1294 ( 4.6A)
 0.71A 4twpA-2xikA:
21.6		 4twpA-2xikA:
27.48
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)		 2xik SERINE/THREONINE
PROTEIN KINASE 25
(Homo
sapiens) 		8 / 12 VAL A  34
ALA A  47
LYS A  49
GLY A 101
ASN A 145
LEU A 147
ALA A 157
ASP A 158
 J60  A1294 ( 4.9A)
J60  A1294 (-3.3A)
None
J60  A1294 ( 3.8A)
None
J60  A1294 (-4.8A)
J60  A1294 ( 4.2A)
J60  A1294 ( 4.6A)
 0.76A 4twpB-2xikA:
21.4		 4twpB-2xikA:
27.48
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.
4TYJ_A_0LIA801_2
(FIBROBLAST GROWTH
FACTOR RECEPTOR 4)		 2xik SERINE/THREONINE
PROTEIN KINASE 25
(Homo
sapiens) 		4 / 6 VAL A  34
LYS A  49
ARG A 139
ILE A  78
 J60  A1294 ( 4.9A)
None
TPO  A 174 ( 2.9A)
None
 0.73A 4tyjA-2xikA:
19.4		 4tyjA-2xikA:
26.84
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.
4U5J_A_RXTA601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		 2xik SERINE/THREONINE
PROTEIN KINASE 25
(Homo
sapiens) 		8 / 11 VAL A  34
ALA A  47
TYR A  97
GLY A 101
ASN A 145
LEU A 147
ALA A 157
ASP A 158
 J60  A1294 ( 4.9A)
J60  A1294 (-3.3A)
J60  A1294 (-4.5A)
J60  A1294 ( 3.8A)
None
J60  A1294 (-4.8A)
J60  A1294 ( 4.2A)
J60  A1294 ( 4.6A)
 0.49A 4u5jA-2xikA:
21.1		 4u5jA-2xikA:
29.52
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.
4UXQ_A_0LIA1752_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 4)		 2xik SERINE/THREONINE
PROTEIN KINASE 25
(Homo
sapiens) 		5 / 12 ALA A  47
LEU A 131
HIS A 138
LEU A 147
ALA A 157
 J60  A1294 (-3.3A)
None
None
J60  A1294 (-4.8A)
J60  A1294 ( 4.2A)
 0.56A 4uxqA-2xikA:
19.0		 4uxqA-2xikA:
26.49
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.
4V01_A_0LIA1776_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1
(FMS-RELATED
TYROSINE KINASE 2,
PFEIFFER SYNDROME),
ISOFORM CRA_B)		 2xik SERINE/THREONINE
PROTEIN KINASE 25
(Homo
sapiens) 		5 / 12 ALA A  47
GLU A  66
LEU A 131
HIS A 138
ALA A 157
 J60  A1294 (-3.3A)
None
None
None
J60  A1294 ( 4.2A)
 0.60A 4v01A-2xikA:
19.3		 4v01A-2xikA:
27.38
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.
4V01_B_0LIB1770_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1
(FMS-RELATED
TYROSINE KINASE 2,
PFEIFFER SYNDROME),
ISOFORM CRA_B)		 2xik SERINE/THREONINE
PROTEIN KINASE 25
(Homo
sapiens) 		5 / 12 ALA A  47
GLU A  66
LEU A 131
HIS A 138
ALA A 157
 J60  A1294 (-3.3A)
None
None
None
J60  A1294 ( 4.2A)
 0.55A 4v01B-2xikA:
19.5		 4v01B-2xikA:
27.38
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.
4V04_A_0LIA1772_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1
(FMS-RELATED
TYROSINE KINASE 2,
PFEIFFER SYNDROME),
ISOFORM CRA_B)		 2xik SERINE/THREONINE
PROTEIN KINASE 25
(Homo
sapiens) 		6 / 12 VAL A  34
ALA A  47
GLU A  66
LEU A 131
HIS A 138
ALA A 157
 J60  A1294 ( 4.9A)
J60  A1294 (-3.3A)
None
None
None
J60  A1294 ( 4.2A)
 0.63A 4v04A-2xikA:
18.5		 4v04A-2xikA:
27.38
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.
4V04_B_0LIB1771_2
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1
(FMS-RELATED
TYROSINE KINASE 2,
PFEIFFER SYNDROME),
ISOFORM CRA_B)		 2xik SERINE/THREONINE
PROTEIN KINASE 25
(Homo
sapiens) 		5 / 12 ALA A  47
GLU A  66
LEU A 131
HIS A 138
ALA A 157
 J60  A1294 (-3.3A)
None
None
None
J60  A1294 ( 4.2A)
 0.61A 4v04B-2xikA:
18.6		 4v04B-2xikA:
27.38
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.
4WA5_A_ZMRA501_1
(NEURAMINIDASE)		 3juu PORPHYRANASE B
(Zobellia
galactanivorans) 		5 / 12 ARG A  70
GLU A 256
GLU A 161
ASN A 183
TYR A 258
 GOL  A 294 (-3.3A)
GOL  A 294 (-2.7A)
GOL  A 294 (-3.1A)
None
None
 1.38A 4wa5A-3juuA:
undetectable		 4wa5A-3juuA:
18.23
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.
4WA9_A_AXIA9000_1
(TYROSINE-PROTEIN
KINASE ABL1)		 2y7j PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM
(Homo
sapiens) 		6 / 11 ALA A  51
LYS A  53
MET A 110
GLY A 113
ASN A 158
LEU A 160
 B49  A1294 (-3.2A)
None
None
B49  A1294 (-3.6A)
None
B49  A1294 (-4.4A)
 1.00A 4wa9A-2y7jA:
22.4		 4wa9A-2y7jA:
26.39
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.
4WA9_B_AXIB9000_1
(TYROSINE-PROTEIN
KINASE ABL1)		 2xik SERINE/THREONINE
PROTEIN KINASE 25
(Homo
sapiens) 		7 / 12 VAL A  34
ALA A  47
LYS A  49
GLY A 101
ASN A 145
LEU A 147
ALA A 157
 J60  A1294 ( 4.9A)
J60  A1294 (-3.3A)
None
J60  A1294 ( 3.8A)
None
J60  A1294 (-4.8A)
J60  A1294 ( 4.2A)
 0.98A 4wa9B-2xikA:
20.5		 4wa9B-2xikA:
27.30
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.
4WA9_B_AXIB9000_1
(TYROSINE-PROTEIN
KINASE ABL1)		 2y7j PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM
(Homo
sapiens) 		7 / 12 VAL A  38
ALA A  51
LYS A  53
MET A 110
GLY A 113
ASN A 158
LEU A 160
 None
B49  A1294 (-3.2A)
None
None
B49  A1294 (-3.6A)
None
B49  A1294 (-4.4A)
 0.90A 4wa9B-2y7jA:
25.4		 4wa9B-2y7jA:
26.39
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.
4WKQ_A_IREA1101_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 2y7j PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM
(Homo
sapiens) 		7 / 12 ALA A  51
LYS A  53
LEU A 105
LEU A 109
GLY A 113
ASP A 117
LEU A 160
 B49  A1294 (-3.2A)
None
None
B49  A1294 ( 4.7A)
B49  A1294 (-3.6A)
None
B49  A1294 (-4.4A)
 0.49A 4wkqA-2y7jA:
25.5		 4wkqA-2y7jA:
23.47
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.
4WOZ_B_MN9B401_0
(N-ACETYLNEURAMINATE
LYASE)		 3sag EXOSOME COMPONENT 10
(Homo
sapiens) 		4 / 6 SER A 293
LEU A 294
ASP A 295
LEU A 345
 SER  A 293 ( 0.0A)
LEU  A 294 ( 0.6A)
ASP  A 295 ( 0.6A)
LEU  A 345 ( 0.6A)
 0.86A 4wozA-3sagA:
undetectable
4wozB-3sagA:
undetectable		 4wozA-3sagA:
21.20
4wozB-3sagA:
21.20
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.
4XLI_A_1N1A601_1
(NON-SPECIFIC
PROTEIN-TYROSINE
KINASE)		 2xik SERINE/THREONINE
PROTEIN KINASE 25
(Homo
sapiens) 		7 / 12 ALA A  47
LYS A  49
GLU A  66
TYR A  97
GLY A 101
LEU A 147
ALA A 157
 J60  A1294 (-3.3A)
None
None
J60  A1294 (-4.5A)
J60  A1294 ( 3.8A)
J60  A1294 (-4.8A)
J60  A1294 ( 4.2A)
 0.55A 4xliA-2xikA:
21.3		 4xliA-2xikA:
28.15
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.
4XLI_B_1N1B600_1
(NON-SPECIFIC
PROTEIN-TYROSINE
KINASE)		 2xik SERINE/THREONINE
PROTEIN KINASE 25
(Homo
sapiens) 		8 / 12 ALA A  47
LYS A  49
GLU A  66
ILE A  93
TYR A  97
GLY A 101
LEU A 147
ALA A 157
 J60  A1294 (-3.3A)
None
None
None
J60  A1294 (-4.5A)
J60  A1294 ( 3.8A)
J60  A1294 (-4.8A)
J60  A1294 ( 4.2A)
 0.62A 4xliB-2xikA:
20.9		 4xliB-2xikA:
28.15
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.
4XOY_A_DX4A401_0
(MITOGEN-ACTIVATED
PROTEIN KINASE 1)		 2y7j PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM
(Homo
sapiens) 		4 / 6 ALA A  51
LEU A 109
MET A 110
LEU A 160
 B49  A1294 (-3.2A)
B49  A1294 ( 4.7A)
None
B49  A1294 (-4.4A)
 0.18A 4xoyA-2y7jA:
11.1		 4xoyA-2y7jA:
23.90
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.
4XP3_A_DX4A401_0
(MITOGEN-ACTIVATED
PROTEIN KINASE 1)		 2y7j PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM
(Homo
sapiens) 		4 / 6 ALA A  51
LEU A 109
MET A 110
LEU A 160
 B49  A1294 (-3.2A)
B49  A1294 ( 4.7A)
None
B49  A1294 (-4.4A)
 0.25A 4xp3A-2y7jA:
27.7		 4xp3A-2y7jA:
23.90
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.
4Z53_F_TR6F101_1
(DNA TOPOISOMERASE 4
SUBUNIT B,DNA
TOPOISOMERASE 4
SUBUNIT A
E-SITE DNA)		 2iss PYRIDOXAL
BIOSYNTHESIS LYASE
PDXS
(Thermotoga
maritima) 		4 / 6 GLY A 215
GLY A 154
SER A 105
ARG A 148
 5RP  A 294 (-3.7A)
5RP  A 294 (-3.4A)
5RP  A 294 ( 4.7A)
5RP  A 294 (-3.7A)
 1.02A 4z53A-2issA:
undetectable
4z53B-2issA:
undetectable		 4z53A-2issA:
19.09
4z53B-2issA:
19.09
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.
5AAB_A_VGHA9000_1
(ALK TYROSINE KINASE
RECEPTOR)		 2y7j PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM
(Homo
sapiens) 		7 / 10 VAL A  38
ALA A  51
LYS A  53
MET A 110
GLY A 113
LEU A 160
ASP A 171
 None
B49  A1294 (-3.2A)
None
None
B49  A1294 (-3.6A)
B49  A1294 (-4.4A)
B49  A1294 (-4.2A)
 0.80A 5aabA-2y7jA:
24.0		 5aabA-2y7jA:
23.76
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.
5AAC_A_VGHA9000_1
(ALK TYROSINE KINASE
RECEPTOR)		 2y7j PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM
(Homo
sapiens) 		6 / 10 VAL A  38
ALA A  51
LYS A  53
MET A 110
GLY A 113
LEU A 160
 None
B49  A1294 (-3.2A)
None
None
B49  A1294 (-3.6A)
B49  A1294 (-4.4A)
 0.54A 5aacA-2y7jA:
4.0		 5aacA-2y7jA:
24.01
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.
5BVW_A_1N1A1009_1
(EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1)		 2xik SERINE/THREONINE
PROTEIN KINASE 25
(Homo
sapiens) 		8 / 12 VAL A  34
ALA A  47
LYS A  49
GLU A  66
TYR A  97
GLY A 101
LEU A 147
ALA A 157
 J60  A1294 ( 4.9A)
J60  A1294 (-3.3A)
None
None
J60  A1294 (-4.5A)
J60  A1294 ( 3.8A)
J60  A1294 (-4.8A)
J60  A1294 ( 4.2A)
 0.77A 5bvwA-2xikA:
17.9		 5bvwA-2xikA:
23.95
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.
5C0O_H_SAMH301_0
(TRNA
(ADENINE(58)-N(1))-M
ETHYLTRANSFERASE
TRMI)		 2iss PYRIDOXAL
BIOSYNTHESIS LYASE
PDXS
(Thermotoga
maritima) 		5 / 12 ALA A 217
GLY A 154
GLY A 156
GLY A 278
GLU A 106
 None
5RP  A 294 (-3.4A)
None
None
None
 0.97A 5c0oH-2issA:
undetectable		 5c0oH-2issA:
22.89
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.
5FCT_B_C2FB402_1
(THYMIDYLATE SYNTHASE)		 3f7p PLECTIN-1
(Homo
sapiens) 		3 / 3 ASN A 209
ASP A 216
GLY A 217
 None
EDO  A 294 (-3.6A)
None
 0.64A 5fctB-3f7pA:
undetectable		 5fctB-3f7pA:
22.87
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.
5FHR_A_SAMA303_0
(CATECHOL
O-METHYLTRANSFERASE)		 5nqf APICAL MEMBRANE
ANTIGEN 1
(Plasmodium
falciparum) 		5 / 12 ASN A 293
VAL A 294
MET A 224
ASN A 225
HIS A 220
 ASN  A 293 ( 0.6A)
VAL  A 294 ( 0.6A)
MET  A 224 ( 0.0A)
ASN  A 225 ( 0.6A)
HIS  A 220 ( 1.0A)
 1.48A 5fhrA-5nqfA:
undetectable		 5fhrA-5nqfA:
18.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5GHY_A_CEDA301_1
(BETA-LACTAMASE)		 4c75 BETA-LACTAMASE
(synthetic
construct) 		7 / 12 SER A  70
SER A 130
ASN A 132
ASN A 170
LYS A 234
GLY A 236
ARG A 244
 NA  A 294 ( 2.5A)
SO4  A 291 (-2.8A)
None
None
SO4  A 291 (-3.4A)
NA  A 294 ( 3.2A)
SO4  A 291 (-4.1A)
 0.33A 5ghyA-4c75A:
41.2		 5ghyA-4c75A:
56.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5GHY_A_CEDA301_1
(BETA-LACTAMASE)		 4c75 BETA-LACTAMASE
(synthetic
construct) 		6 / 12 SER A  70
TYR A 105
ASN A 132
ASN A 170
GLY A 236
ARG A 244
 NA  A 294 ( 2.5A)
None
None
None
NA  A 294 ( 3.2A)
SO4  A 291 (-4.1A)
 1.31A 5ghyA-4c75A:
41.2		 5ghyA-4c75A:
56.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5GHY_B_CEDB301_1
(BETA-LACTAMASE)		 4c75 BETA-LACTAMASE
(synthetic
construct) 		7 / 12 SER A  70
SER A 130
ASN A 132
ASN A 170
LYS A 234
GLY A 236
ARG A 244
 NA  A 294 ( 2.5A)
SO4  A 291 (-2.8A)
None
None
SO4  A 291 (-3.4A)
NA  A 294 ( 3.2A)
SO4  A 291 (-4.1A)
 0.32A 5ghyB-4c75A:
41.2		 5ghyB-4c75A:
56.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5GHY_B_CEDB301_1
(BETA-LACTAMASE)		 4c75 BETA-LACTAMASE
(synthetic
construct) 		6 / 12 SER A  70
TYR A 105
ASN A 132
ASN A 170
GLY A 236
ARG A 244
 NA  A 294 ( 2.5A)
None
None
None
NA  A 294 ( 3.2A)
SO4  A 291 (-4.1A)
 1.26A 5ghyB-4c75A:
41.2		 5ghyB-4c75A:
56.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5GHZ_A_CEDA301_1
(BETA-LACTAMASE)		 4c75 BETA-LACTAMASE
(synthetic
construct) 		9 / 11 SER A  70
TYR A 105
SER A 130
ASN A 132
ASN A 170
LYS A 234
THR A 235
GLY A 236
ARG A 244
 NA  A 294 ( 2.5A)
None
SO4  A 291 (-2.8A)
None
None
SO4  A 291 (-3.4A)
SO4  A 291 (-3.8A)
NA  A 294 ( 3.2A)
SO4  A 291 (-4.1A)
 0.43A 5ghzA-4c75A:
41.2		 5ghzA-4c75A:
56.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5GHZ_B_CEDB301_1
(BETA-LACTAMASE)		 4c75 BETA-LACTAMASE
(synthetic
construct) 		9 / 10 SER A  70
TYR A 105
SER A 130
ASN A 132
ASN A 170
LYS A 234
THR A 235
GLY A 236
ARG A 244
 NA  A 294 ( 2.5A)
None
SO4  A 291 (-2.8A)
None
None
SO4  A 291 (-3.4A)
SO4  A 291 (-3.8A)
NA  A 294 ( 3.2A)
SO4  A 291 (-4.1A)
 0.41A 5ghzB-4c75A:
41.2		 5ghzB-4c75A:
56.23
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.
5GQB_A_GCSA603_1
(CHITINASE)		 3b8z PROTEIN ADAMTS-5
(Homo
sapiens) 		4 / 8 GLY A 380
GLU A 411
ASP A 383
ARG A 392
 294  A 801 (-3.5A)
294  A 801 (-2.7A)
None
None
 1.02A 5gqbA-3b8zA:
undetectable		 5gqbA-3b8zA:
16.85
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.
5GWX_A_SAMA301_1
(GLYCINE SARCOSINE
N-METHYLTRANSFERASE)		 3r6y ASPARTASE
(Bacillus
sp.
YM55-1) 		3 / 3 ARG A 210
ASN A 287
ASP A 294
 ARG  A 210 ( 0.6A)
ASN  A 287 ( 0.6A)
ASP  A 294 ( 0.6A)
 0.78A 5gwxA-3r6yA:
undetectable		 5gwxA-3r6yA:
20.84
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.
5H2U_A_1N1A501_1
(PROTEIN-TYROSINE
KINASE 6)		 2y7j PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM
(Homo
sapiens) 		5 / 12 VAL A  38
ALA A  51
LEU A 109
GLY A 113
LEU A 160
 None
B49  A1294 (-3.2A)
B49  A1294 ( 4.7A)
B49  A1294 (-3.6A)
B49  A1294 (-4.4A)
 0.46A 5h2uA-2y7jA:
11.8		 5h2uA-2y7jA:
24.20
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.
5H2U_B_1N1B501_1
(PROTEIN-TYROSINE
KINASE 6)		 2y7j PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM
(Homo
sapiens) 		6 / 12 VAL A  38
ALA A  51
LEU A 109
GLY A 113
LEU A 160
ASP A 171
 None
B49  A1294 (-3.2A)
B49  A1294 ( 4.7A)
B49  A1294 (-3.6A)
B49  A1294 (-4.4A)
B49  A1294 (-4.2A)
 0.84A 5h2uB-2y7jA:
8.1		 5h2uB-2y7jA:
24.20
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.
5I3C_C_AC2C301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		 3khs PURINE NUCLEOSIDE
PHOSPHORYLASE
(Singapore
grouper
iridovirus) 		5 / 11 GLY A 115
VAL A 214
MET A 216
SER A 239
ILE A 242
 None
None
TRS  A 294 (-3.7A)
None
None
 0.67A 5i3cC-3khsA:
22.5		 5i3cC-3khsA:
24.07
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.
5I9X_A_DB8A1001_1
(EPHRIN TYPE-A
RECEPTOR 2)		 2xik SERINE/THREONINE
PROTEIN KINASE 25
(Homo
sapiens) 		7 / 12 ALA A  47
LYS A  49
GLU A  66
ILE A  93
TYR A  97
GLY A 101
LEU A 147
 J60  A1294 (-3.3A)
None
None
None
J60  A1294 (-4.5A)
J60  A1294 ( 3.8A)
J60  A1294 (-4.8A)
 0.73A 5i9xA-2xikA:
24.9		 5i9xA-2xikA:
29.38
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.
5I9X_A_DB8A1001_1
(EPHRIN TYPE-A
RECEPTOR 2)		 2y7j PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM
(Homo
sapiens) 		6 / 12 ILE A  30
ALA A  51
ILE A  91
GLY A 113
LEU A 160
SER A 170
 B49  A1294 (-3.9A)
B49  A1294 (-3.2A)
B49  A1294 ( 4.6A)
B49  A1294 (-3.6A)
B49  A1294 (-4.4A)
B49  A1294 ( 4.9A)
 0.56A 5i9xA-2y7jA:
24.3		 5i9xA-2y7jA:
22.92
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.
5I9X_A_DB8A1001_1
(EPHRIN TYPE-A
RECEPTOR 2)		 2y7j PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM
(Homo
sapiens) 		6 / 12 ILE A  30
ALA A  51
LYS A  53
GLY A 113
LEU A 160
SER A 170
 B49  A1294 (-3.9A)
B49  A1294 (-3.2A)
None
B49  A1294 (-3.6A)
B49  A1294 (-4.4A)
B49  A1294 ( 4.9A)
 0.64A 5i9xA-2y7jA:
24.3		 5i9xA-2y7jA:
22.92
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.
5I9Y_A_1N1A1001_1
(EPHRIN TYPE-A
RECEPTOR 2)		 2y7j PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM
(Homo
sapiens) 		6 / 12 ILE A  30
ALA A  51
LYS A  53
GLY A 113
LEU A 160
SER A 170
 B49  A1294 (-3.9A)
B49  A1294 (-3.2A)
None
B49  A1294 (-3.6A)
B49  A1294 (-4.4A)
B49  A1294 ( 4.9A)
 0.67A 5i9yA-2y7jA:
24.1		 5i9yA-2y7jA:
22.92
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.
5IGV_A_ZITA404_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)		 3flu DIHYDRODIPICOLINATE
SYNTHASE
(Neisseria
meningitidis) 		5 / 12 GLY A  46
ALA A 209
SER A 185
ILE A 203
TYR A 133
 None
None
None
SO4  A 294 (-4.6A)
SO4  A 294 ( 4.7A)
 1.14A 5igvA-3fluA:
undetectable		 5igvA-3fluA:
22.12
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.
5IGW_A_CTYA404_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)		 5a3c SIR2 FAMILY PROTEIN
(Streptococcus
pyogenes) 		5 / 12 GLY A  41
TYR A  44
GLU A 139
ILE A  32
TYR A 100
 None
NAD  A1294 (-3.5A)
None
None
None
 1.32A 5igwA-5a3cA:
undetectable		 5igwA-5a3cA:
22.92
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.
5IQB_D_KAND600_1
(BIFUNCTIONAL AAC/APH)		 4flx DNA POLYMERASE 1
(Pyrococcus
abyssi) 		5 / 12 ASP A 315
ASP A 141
TYR A 311
GLU A 294
TYR A 291
 ASP  A 315 (-0.5A)
ASP  A 141 (-0.5A)
TYR  A 311 ( 1.3A)
GLU  A 294 ( 0.6A)
TYR  A 291 ( 1.3A)
 1.29A 5iqbD-4flxA:
1.3		 5iqbD-4flxA:
17.25
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.
5IQE_B_NMYB600_1
(BIFUNCTIONAL AAC/APH)		 4flx DNA POLYMERASE 1
(Pyrococcus
abyssi) 		5 / 10 ASP A 315
ASP A 141
TYR A 311
GLU A 294
TYR A 291
 ASP  A 315 (-0.5A)
ASP  A 141 (-0.5A)
TYR  A 311 ( 1.3A)
GLU  A 294 ( 0.6A)
TYR  A 291 ( 1.3A)
 1.46A 5iqeB-4flxA:
2.5		 5iqeB-4flxA:
17.25
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.
5IQE_D_NMYD600_1
(BIFUNCTIONAL AAC/APH)		 4flx DNA POLYMERASE 1
(Pyrococcus
abyssi) 		5 / 12 ASP A 315
ASP A 141
TYR A 311
GLU A 294
TYR A 291
 ASP  A 315 (-0.5A)
ASP  A 141 (-0.5A)
TYR  A 311 ( 1.3A)
GLU  A 294 ( 0.6A)
TYR  A 291 ( 1.3A)
 1.32A 5iqeD-4flxA:
2.5		 5iqeD-4flxA:
17.25
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.
5IQG_B_51GB600_1
(BIFUNCTIONAL AAC/APH)		 4flx DNA POLYMERASE 1
(Pyrococcus
abyssi) 		5 / 10 ASP A 315
ASP A 141
TYR A 311
GLU A 294
TYR A 291
 ASP  A 315 (-0.5A)
ASP  A 141 (-0.5A)
TYR  A 311 ( 1.3A)
GLU  A 294 ( 0.6A)
TYR  A 291 ( 1.3A)
 1.47A 5iqgB-4flxA:
0.0		 5iqgB-4flxA:
17.25
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.
5L1F_A_6ZPA902_1
(GLUTAMATE RECEPTOR 2)		 4ccw CARBOXYL ESTERASE NP
(Bacillus
subtilis) 		4 / 8 ASP A  92
TYR A 108
ASN A 213
SER A 130
 None
None
None
VKC  A1294 ( 3.8A)
 0.82A 5l1fA-4ccwA:
undetectable
5l1fB-4ccwA:
undetectable		 5l1fA-4ccwA:
17.65
5l1fB-4ccwA:
17.65
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.
5LW1_B_ADNB401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE 8)		 2y7j PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM
(Homo
sapiens) 		6 / 9 ILE A  30
GLY A  31
VAL A  38
ALA A  51
ILE A  91
MET A 110
 B49  A1294 (-3.9A)
B49  A1294 (-4.0A)
None
B49  A1294 (-3.2A)
B49  A1294 ( 4.6A)
None
 0.46A 5lw1B-2y7jA:
23.8		 5lw1B-2y7jA:
13.89
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.
5LW1_E_ADNE401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE 8)		 2y7j PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM
(Homo
sapiens) 		6 / 10 GLY A  31
VAL A  38
ALA A  51
ILE A  91
LEU A 109
MET A 110
 B49  A1294 (-4.0A)
None
B49  A1294 (-3.2A)
B49  A1294 ( 4.6A)
B49  A1294 ( 4.7A)
None
 0.54A 5lw1E-2y7jA:
23.4		 5lw1E-2y7jA:
13.89
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.
5LW1_H_ADNH401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE 8)		 2y7j PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM
(Homo
sapiens) 		5 / 9 GLY A  31
VAL A  38
ALA A  51
LEU A 109
MET A 110
 B49  A1294 (-4.0A)
None
B49  A1294 (-3.2A)
B49  A1294 ( 4.7A)
None
 0.43A 5lw1H-2y7jA:
12.5		 5lw1H-2y7jA:
13.89
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.
5MAF_A_XINA403_1
(MATERNAL EMBRYONIC
LEUCINE ZIPPER
KINASE)		 2y7j PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM
(Homo
sapiens) 		7 / 12 ILE A  30
GLY A  31
VAL A  38
ALA A  51
LYS A  53
GLY A 113
GLU A 114
 B49  A1294 (-3.9A)
B49  A1294 (-4.0A)
None
B49  A1294 (-3.2A)
None
B49  A1294 (-3.6A)
B49  A1294 ( 4.7A)
 0.72A 5mafA-2y7jA:
31.3		 5mafA-2y7jA:
11.30
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.
5MAF_A_XINA403_1
(MATERNAL EMBRYONIC
LEUCINE ZIPPER
KINASE)		 2y7j PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM
(Homo
sapiens) 		7 / 12 ILE A  30
GLY A  31
VAL A  38
LYS A  53
GLU A  77
GLY A 113
GLU A 114
 B49  A1294 (-3.9A)
B49  A1294 (-4.0A)
None
None
None
B49  A1294 (-3.6A)
B49  A1294 ( 4.7A)
 0.80A 5mafA-2y7jA:
31.3		 5mafA-2y7jA:
11.30
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.
5N5J_A_HAEA306_1
(MACROPHAGE
METALLOELASTASE)		 3b8z PROTEIN ADAMTS-5
(Homo
sapiens) 		4 / 4 HIS A 410
GLU A 411
HIS A 414
HIS A 420
 ZN  A 901 ( 3.2A)
294  A 801 (-2.7A)
ZN  A 901 ( 3.3A)
ZN  A 901 ( 3.3A)
 0.15A 5n5jA-3b8zA:
10.8		 5n5jA-3b8zA:
23.72
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.
5N5K_A_HAEA306_1
(MACROPHAGE
METALLOELASTASE)		 3b8z PROTEIN ADAMTS-5
(Homo
sapiens) 		4 / 5 HIS A 410
GLU A 411
HIS A 414
HIS A 420
 ZN  A 901 ( 3.2A)
294  A 801 (-2.7A)
ZN  A 901 ( 3.3A)
ZN  A 901 ( 3.3A)
 0.14A 5n5kA-3b8zA:
10.9		 5n5kA-3b8zA:
24.29
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.
5NNA_A_BZMA301_0
(ISATIN HYDROLASE A)		 1wsv AMINOMETHYLTRANSFERA
SE
(Homo
sapiens) 		5 / 12 ILE A 308
LEU A 348
VAL A 319
GLY A 335
GLY A 294
 ILE  A 308 ( 0.7A)
LEU  A 348 ( 0.6A)
VAL  A 319 ( 0.6A)
GLY  A 335 ( 0.0A)
GLY  A 294 ( 0.0A)
 1.05A 5nnaA-1wsvA:
undetectable		 5nnaA-1wsvA:
20.47
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.
5NNA_B_BZMB301_0
(ISATIN HYDROLASE A)		 1wsv AMINOMETHYLTRANSFERA
SE
(Homo
sapiens) 		5 / 12 ILE A 308
LEU A 348
VAL A 319
GLY A 335
GLY A 294
 ILE  A 308 ( 0.7A)
LEU  A 348 ( 0.6A)
VAL  A 319 ( 0.6A)
GLY  A 335 ( 0.0A)
GLY  A 294 ( 0.0A)
 1.01A 5nnaB-1wsvA:
undetectable		 5nnaB-1wsvA:
20.47
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.
5NNA_C_BZMC301_0
(ISATIN HYDROLASE A)		 1wsv AMINOMETHYLTRANSFERA
SE
(Homo
sapiens) 		5 / 12 ILE A 308
LEU A 348
VAL A 319
GLY A 335
GLY A 294
 ILE  A 308 ( 0.7A)
LEU  A 348 ( 0.6A)
VAL  A 319 ( 0.6A)
GLY  A 335 ( 0.0A)
GLY  A 294 ( 0.0A)
 1.04A 5nnaC-1wsvA:
undetectable		 5nnaC-1wsvA:
20.47
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.
5NNA_D_BZMD301_0
(ISATIN HYDROLASE A)		 1wsv AMINOMETHYLTRANSFERA
SE
(Homo
sapiens) 		5 / 12 ILE A 308
LEU A 348
VAL A 319
GLY A 335
GLY A 294
 ILE  A 308 ( 0.7A)
LEU  A 348 ( 0.6A)
VAL  A 319 ( 0.6A)
GLY  A 335 ( 0.0A)
GLY  A 294 ( 0.0A)
 1.04A 5nnaD-1wsvA:
undetectable		 5nnaD-1wsvA:
20.47
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.
5NWV_A_ACAA18_2
(SCRFP-TAG,GP41)		 2vd3 ATP
PHOSPHORIBOSYLTRANSF
ERASE
(Methanothermobac
ter
thermautotrophic
us) 		4 / 7 LEU A 159
ASP A 158
ALA A  97
LEU A 155
 None
MG  A1294 (-2.9A)
None
None
 1.05A 5nwvA-2vd3A:
undetectable		 5nwvA-2vd3A:
9.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5OWR_A_1N1A401_1
(SERINE/THREONINE-PRO
TEIN KINASE 10)		 2xik SERINE/THREONINE
PROTEIN KINASE 25
(Homo
sapiens) 		4 / 8 ALA A  47
GLU A  66
LEU A 147
ASP A 158
 J60  A1294 (-3.3A)
None
J60  A1294 (-4.8A)
J60  A1294 ( 4.6A)
 0.51A 5owrA-2xikA:
23.0		 5owrA-2xikA:
42.90
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.
5TZO_C_7V7C202_1
(ENDO-1,4-BETA-XYLANA
SE A)		 3k4z GLYCOSIDE HYDROLASE
FAMILY 9
(Ruminiclostridiu
m
thermocellum) 		4 / 8 TYR A 100
THR A 148
ARG A  73
GLN A  71
 None
None
CBI  A 294 (-3.2A)
CBI  A 294 (-3.0A)
 1.36A 5tzoC-3k4zA:
undetectable		 5tzoC-3k4zA:
19.59
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.
5UMW_B_RBFB201_1
(GLYOXALASE/BLEOMYCIN
RESISANCE
PROTEIN/DIOXYGENASE)		 4asy GLUCOSE-1-PHOSPHATE
THYMIDYLYLTRANSFERAS
E
(Pseudomonas
aeruginosa) 		4 / 7 VAL A 292
TYR A 283
GLU A 255
LEU A 242
 None
None
N5Y  A1294 (-3.5A)
None
 1.16A 5umwB-4asyA:
undetectable
5umwE-4asyA:
undetectable		 5umwB-4asyA:
13.31
5umwE-4asyA:
13.31
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.
5UMW_F_RBFF201_1
(GLYOXALASE/BLEOMYCIN
RESISANCE
PROTEIN/DIOXYGENASE)		 4asy GLUCOSE-1-PHOSPHATE
THYMIDYLYLTRANSFERAS
E
(Pseudomonas
aeruginosa) 		4 / 7 LEU A 242
VAL A 292
TYR A 283
GLU A 255
 None
None
None
N5Y  A1294 (-3.5A)
 0.92A 5umwA-4asyA:
undetectable
5umwF-4asyA:
undetectable		 5umwA-4asyA:
13.31
5umwF-4asyA:
13.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5VC3_A_DB8A601_1
(WEE1-LIKE PROTEIN
KINASE)		 2xik SERINE/THREONINE
PROTEIN KINASE 25
(Homo
sapiens) 		6 / 12 ALA A  47
GLU A  66
TYR A  97
GLY A 101
ASP A 105
ASP A 158
 J60  A1294 (-3.3A)
None
J60  A1294 (-4.5A)
J60  A1294 ( 3.8A)
J60  A1294 (-3.2A)
J60  A1294 ( 4.6A)
 0.63A 5vc3A-2xikA:
20.4		 5vc3A-2xikA:
30.70
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.
5VEU_A_RITA602_1
(CYTOCHROME P450 3A5)		 3b8z PROTEIN ADAMTS-5
(Homo
sapiens) 		5 / 12 LEU A 271
PHE A 341
ALA A 275
ALA A 404
GLY A 380
 None
None
None
None
294  A 801 (-3.5A)
 1.02A 5veuA-3b8zA:
undetectable		 5veuA-3b8zA:
18.94
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.
5VEU_B_RITB602_1
(CYTOCHROME P450 3A5)		 3b8z PROTEIN ADAMTS-5
(Homo
sapiens) 		5 / 12 LEU A 271
PHE A 341
ALA A 275
ALA A 404
GLY A 380
 None
None
None
None
294  A 801 (-3.5A)
 1.04A 5veuB-3b8zA:
undetectable		 5veuB-3b8zA:
18.94
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.
5VV5_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 1bf6 PHOSPHOTRIESTERASE
HOMOLOGY PROTEIN
(Escherichia
coli) 		4 / 7 MET A 164
VAL A 184
PHE A 141
GLU A 167
 SO4  A 294 (-3.6A)
None
None
SO4  A 294 ( 4.5A)
 1.42A 5vv5A-1bf6A:
0.0
5vv5B-1bf6A:
0.5		 5vv5A-1bf6A:
22.58
5vv5B-1bf6A:
22.58
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.
5Y7Z_A_IREA401_0
(CYCLIN-G-ASSOCIATED
KINASE)		 2y7j PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM
(Homo
sapiens) 		7 / 12 VAL A  38
ALA A  51
LYS A  53
GLU A  77
LEU A 109
GLY A 113
LEU A 160
 None
B49  A1294 (-3.2A)
None
None
B49  A1294 ( 4.7A)
B49  A1294 (-3.6A)
B49  A1294 (-4.4A)
 0.88A 5y7zA-2y7jA:
28.0		 5y7zA-2y7jA:
11.69
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)		 2y7j PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM
(Homo
sapiens) 		7 / 12 VAL A  38
ALA A  51
LYS A  53
GLU A  77
LEU A 109
GLY A 113
LEU A 160
 None
B49  A1294 (-3.2A)
None
None
B49  A1294 ( 4.7A)
B49  A1294 (-3.6A)
B49  A1294 (-4.4A)
 0.88A 5y7zA-2y7jA:
28.0		 5y7zA-2y7jA:
26.85
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.
5Y80_A_IREA401_0
(CYCLIN-G-ASSOCIATED
KINASE)		 2xik SERINE/THREONINE
PROTEIN KINASE 25
(Homo
sapiens) 		7 / 12 VAL A  34
ALA A  47
LYS A  49
GLU A  66
GLY A 101
LEU A 147
ASP A 158
 J60  A1294 ( 4.9A)
J60  A1294 (-3.3A)
None
None
J60  A1294 ( 3.8A)
J60  A1294 (-4.8A)
J60  A1294 ( 4.6A)
 0.62A 5y80A-2xikA:
25.1		 5y80A-2xikA:
14.68
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.
5YF9_X_NIOX401_1
(CASEIN KINASE II
SUBUNIT ALPHA')		 2y7j PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM
(Homo
sapiens) 		5 / 9 VAL A  38
LYS A  53
ILE A  91
PHE A 107
ASP A 171
 None
None
B49  A1294 ( 4.6A)
B49  A1294 (-4.0A)
B49  A1294 (-4.2A)
 0.99A 5yf9X-2y7jA:
27.1		 5yf9X-2y7jA:
13.02
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.
5YU9_B_1E8B1101_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 2y7j PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM
(Homo
sapiens) 		6 / 12 GLY A  31
VAL A  38
ALA A  51
LEU A 105
ASP A 117
LEU A 160
 B49  A1294 (-4.0A)
None
B49  A1294 (-3.2A)
None
None
B49  A1294 (-4.4A)
 0.73A 5yu9B-2y7jA:
22.4		 5yu9B-2y7jA:
13.22
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.
5YU9_C_1E8C1101_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 2y7j PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM
(Homo
sapiens) 		5 / 12 VAL A  38
ALA A  51
GLY A 113
ASP A 117
ASP A 171
 None
B49  A1294 (-3.2A)
B49  A1294 (-3.6A)
None
B49  A1294 (-4.2A)
 0.70A 5yu9C-2y7jA:
21.9		 5yu9C-2y7jA:
13.22
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.
5YU9_C_1E8C1101_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 2y7j PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM
(Homo
sapiens) 		5 / 12 VAL A  38
ALA A  51
LEU A 105
GLY A 113
ASP A 117
 None
B49  A1294 (-3.2A)
None
B49  A1294 (-3.6A)
None
 0.49A 5yu9C-2y7jA:
21.9		 5yu9C-2y7jA:
13.22
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.
5YU9_D_1E8D1101_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 2y7j PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM
(Homo
sapiens) 		6 / 12 VAL A  38
ALA A  51
GLY A 113
ASP A 117
LEU A 160
ASP A 171
 None
B49  A1294 (-3.2A)
B49  A1294 (-3.6A)
None
B49  A1294 (-4.4A)
B49  A1294 (-4.2A)
 0.69A 5yu9D-2y7jA:
22.5		 5yu9D-2y7jA:
13.22
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.
5YWM_X_NIOX403_0
(CASEIN KINASE II
SUBUNIT ALPHA')		 2y7j PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM
(Homo
sapiens) 		4 / 7 VAL A  38
ILE A  91
PHE A 107
ASP A 171
 None
B49  A1294 ( 4.6A)
B49  A1294 (-4.0A)
B49  A1294 (-4.2A)
 0.71A 5ywmX-2y7jA:
27.0		 5ywmX-2y7jA:
13.02
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_A_LEVA801_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1)		 2xik SERINE/THREONINE
PROTEIN KINASE 25
(Homo
sapiens) 		6 / 12 GLY A  27
ALA A  47
GLU A  66
TYR A  97
GLY A 101
ALA A 157
 J60  A1294 ( 4.1A)
J60  A1294 (-3.3A)
None
J60  A1294 (-4.5A)
J60  A1294 ( 3.8A)
J60  A1294 ( 4.2A)
 0.77A 5zv2A-2xikA:
18.8		 5zv2A-2xikA:
14.38
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.
5ZV2_A_LEVA801_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1)		 2xik SERINE/THREONINE
PROTEIN KINASE 25
(Homo
sapiens) 		6 / 12 VAL A  34
ALA A  47
GLU A  66
TYR A  97
GLY A 101
ALA A 157
 J60  A1294 ( 4.9A)
J60  A1294 (-3.3A)
None
J60  A1294 (-4.5A)
J60  A1294 ( 3.8A)
J60  A1294 ( 4.2A)
 0.57A 5zv2A-2xikA:
18.8		 5zv2A-2xikA:
14.38
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.
5ZV2_A_LEVA801_2
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1)		 2xik SERINE/THREONINE
PROTEIN KINASE 25
(Homo
sapiens) 		3 / 3 LYS A  49
LEU A 147
ASP A 158
 None
J60  A1294 (-4.8A)
J60  A1294 ( 4.6A)
 0.69A 5zv2A-2xikA:
18.8		 5zv2A-2xikA:
14.38
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.
5ZV2_A_LEVA801_2
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1)		 2y7j PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM
(Homo
sapiens) 		3 / 3 LYS A  53
LEU A 160
ASP A 171
 None
B49  A1294 (-4.4A)
B49  A1294 (-4.2A)
 0.67A 5zv2A-2y7jA:
23.1		 5zv2A-2y7jA:
12.15
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.
5ZV2_B_LEVB801_2
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1)		 2xik SERINE/THREONINE
PROTEIN KINASE 25
(Homo
sapiens) 		3 / 3 TYR A  97
LEU A 147
ASP A 158
 J60  A1294 (-4.5A)
J60  A1294 (-4.8A)
J60  A1294 ( 4.6A)
 0.70A 5zv2B-2xikA:
19.0		 5zv2B-2xikA:
14.38
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.
5ZWR_A_9KLA402_0
(EST-Y29)		 3p09 BETA-LACTAMASE
(Francisella
tularensis) 		5 / 12 ILE A 154
LEU A 137
GLY A  69
ALA A  70
LEU A 134
 None
SO4  A 294 (-4.5A)
None
None
None
 1.17A 5zwrA-3p09A:
15.3		 5zwrA-3p09A:
19.52
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.
6B5V_B_ECLB1001_1
(TRANSIENT RECEPTOR
POTENTIAL CATION
CHANNEL SUBFAMILY V
MEMBER 5)		 2pk9 PHO85 CYCLIN PHO80
(Saccharomyces
cerevisiae) 		4 / 7 ALA B 126
ILE B  47
LEU B 114
ILE B  75
 None
None
None
MES  B 294 (-4.0A)
 0.89A 6b5vA-2pk9B:
undetectable
6b5vB-2pk9B:
undetectable		 6b5vA-2pk9B:
14.34
6b5vB-2pk9B:
14.34
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.
6B5Y_B_9F2B400_1
(BETA-LACTAMASE)		 4c75 BETA-LACTAMASE
(synthetic
construct) 		10 / 12 CYH A  69
SER A  70
SER A 130
ASN A 170
THR A 216
LYS A 234
THR A 235
GLY A 236
THR A 237
GLY A 238
 None
NA  A 294 ( 2.5A)
SO4  A 291 (-2.8A)
None
SO4  A 291 ( 4.1A)
SO4  A 291 (-3.4A)
SO4  A 291 (-3.8A)
NA  A 294 ( 3.2A)
SO4  A 291 ( 3.4A)
None
 0.48A 6b5yB-4c75A:
40.1		 6b5yB-4c75A:
24.39
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.
6B5Y_D_9F2D400_1
(BETA-LACTAMASE)		 4c75 BETA-LACTAMASE
(synthetic
construct) 		10 / 12 CYH A  69
SER A  70
SER A 130
ASN A 170
THR A 216
LYS A 234
THR A 235
GLY A 236
THR A 237
GLY A 238
 None
NA  A 294 ( 2.5A)
SO4  A 291 (-2.8A)
None
SO4  A 291 ( 4.1A)
SO4  A 291 (-3.4A)
SO4  A 291 (-3.8A)
NA  A 294 ( 3.2A)
SO4  A 291 ( 3.4A)
None
 0.47A 6b5yD-4c75A:
40.2		 6b5yD-4c75A:
24.39
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.
6B68_B_9F2B301_1
(BETA-LACTAMASE)		 4c75 BETA-LACTAMASE
(synthetic
construct) 		10 / 12 CYH A  69
SER A  70
SER A 130
ASN A 170
THR A 216
LYS A 234
THR A 235
GLY A 236
THR A 237
GLY A 238
 None
NA  A 294 ( 2.5A)
SO4  A 291 (-2.8A)
None
SO4  A 291 ( 4.1A)
SO4  A 291 (-3.4A)
SO4  A 291 (-3.8A)
NA  A 294 ( 3.2A)
SO4  A 291 ( 3.4A)
None
 0.38A 6b68B-4c75A:
40.3		 6b68B-4c75A:
24.39
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.
6B68_D_9F2D400_1
(BETA-LACTAMASE)		 4c75 BETA-LACTAMASE
(synthetic
construct) 		8 / 12 SER A  70
SER A 130
ASN A 170
THR A 216
LYS A 234
GLY A 236
THR A 237
GLY A 238
 NA  A 294 ( 2.5A)
SO4  A 291 (-2.8A)
None
SO4  A 291 ( 4.1A)
SO4  A 291 (-3.4A)
NA  A 294 ( 3.2A)
SO4  A 291 ( 3.4A)
None
 0.42A 6b68D-4c75A:
40.3		 6b68D-4c75A:
24.39
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.
6B69_B_9F2B301_1
(BETA-LACTAMASE)		 4c75 BETA-LACTAMASE
(synthetic
construct) 		10 / 12 SER A  70
SER A 130
PRO A 167
ASN A 170
THR A 216
LYS A 234
THR A 235
GLY A 236
THR A 237
GLY A 238
 NA  A 294 ( 2.5A)
SO4  A 291 (-2.8A)
None
None
SO4  A 291 ( 4.1A)
SO4  A 291 (-3.4A)
SO4  A 291 (-3.8A)
NA  A 294 ( 3.2A)
SO4  A 291 ( 3.4A)
None
 0.36A 6b69A-4c75A:
40.2
6b69B-4c75A:
40.3		 6b69A-4c75A:
24.39
6b69B-4c75A:
24.39
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.
6B69_D_9F2D301_1
(BETA-LACTAMASE)		 4c75 BETA-LACTAMASE
(synthetic
construct) 		10 / 12 CYH A  69
SER A  70
SER A 130
ASN A 170
THR A 216
LYS A 234
THR A 235
GLY A 236
THR A 237
GLY A 238
 None
NA  A 294 ( 2.5A)
SO4  A 291 (-2.8A)
None
SO4  A 291 ( 4.1A)
SO4  A 291 (-3.4A)
SO4  A 291 (-3.8A)
NA  A 294 ( 3.2A)
SO4  A 291 ( 3.4A)
None
 0.35A 6b69D-4c75A:
40.3		 6b69D-4c75A:
24.39
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.
6B6A_B_9F2B301_1
(BETA-LACTAMASE)		 4c75 BETA-LACTAMASE
(synthetic
construct) 		10 / 12 CYH A  69
SER A  70
SER A 130
ASN A 170
THR A 216
LYS A 234
THR A 235
GLY A 236
THR A 237
GLY A 238
 None
NA  A 294 ( 2.5A)
SO4  A 291 (-2.8A)
None
SO4  A 291 ( 4.1A)
SO4  A 291 (-3.4A)
SO4  A 291 (-3.8A)
NA  A 294 ( 3.2A)
SO4  A 291 ( 3.4A)
None
 0.38A 6b6aB-4c75A:
40.1		 6b6aB-4c75A:
24.39
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.
6B6A_D_9F2D301_1
(BETA-LACTAMASE)		 4c75 BETA-LACTAMASE
(synthetic
construct) 		8 / 12 SER A  70
SER A 130
ASN A 170
LYS A 234
THR A 235
GLY A 236
THR A 237
GLY A 238
 NA  A 294 ( 2.5A)
SO4  A 291 (-2.8A)
None
SO4  A 291 (-3.4A)
SO4  A 291 (-3.8A)
NA  A 294 ( 3.2A)
SO4  A 291 ( 3.4A)
None
 0.32A 6b6aD-4c75A:
40.1		 6b6aD-4c75A:
24.39
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.
6B6C_A_9F2A301_1
(BETA-LACTAMASE)		 4c75 BETA-LACTAMASE
(synthetic
construct) 		9 / 12 SER A  70
SER A 130
PRO A 167
ASN A 170
LYS A 234
THR A 235
GLY A 236
THR A 237
GLY A 238
 NA  A 294 ( 2.5A)
SO4  A 291 (-2.8A)
None
None
SO4  A 291 (-3.4A)
SO4  A 291 (-3.8A)
NA  A 294 ( 3.2A)
SO4  A 291 ( 3.4A)
None
 0.44A 6b6cA-4c75A:
39.9		 6b6cA-4c75A:
24.39
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.
6B6D_A_9F2A302_1
(BETA-LACTAMASE)		 4c75 BETA-LACTAMASE
(synthetic
construct) 		10 / 12 CYH A  69
SER A  70
SER A 130
ASN A 170
THR A 216
LYS A 234
THR A 235
GLY A 236
THR A 237
GLY A 238
 None
NA  A 294 ( 2.5A)
SO4  A 291 (-2.8A)
None
SO4  A 291 ( 4.1A)
SO4  A 291 (-3.4A)
SO4  A 291 (-3.8A)
NA  A 294 ( 3.2A)
SO4  A 291 ( 3.4A)
None
 0.55A 6b6dA-4c75A:
39.9		 6b6dA-4c75A:
24.39
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.
6B6E_A_9F2A302_1
(BETA-LACTAMASE)		 4c75 BETA-LACTAMASE
(synthetic
construct) 		9 / 12 SER A  70
SER A 130
ASN A 170
THR A 216
LYS A 234
THR A 235
GLY A 236
THR A 237
GLY A 238
 NA  A 294 ( 2.5A)
SO4  A 291 (-2.8A)
None
SO4  A 291 ( 4.1A)
SO4  A 291 (-3.4A)
SO4  A 291 (-3.8A)
NA  A 294 ( 3.2A)
SO4  A 291 ( 3.4A)
None
 0.36A 6b6eA-4c75A:
40.0		 6b6eA-4c75A:
24.39
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.
6B6F_A_9F2A301_1
(BETA-LACTAMASE)		 4c75 BETA-LACTAMASE
(synthetic
construct) 		10 / 12 CYH A  69
SER A  70
SER A 130
PRO A 167
ASN A 170
LYS A 234
THR A 235
GLY A 236
THR A 237
GLY A 238
 None
NA  A 294 ( 2.5A)
SO4  A 291 (-2.8A)
None
None
SO4  A 291 (-3.4A)
SO4  A 291 (-3.8A)
NA  A 294 ( 3.2A)
SO4  A 291 ( 3.4A)
None
 0.49A 6b6fA-4c75A:
39.5		 6b6fA-4c75A:
24.39
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.
6BSD_A_1N1A901_0
(EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1)		 2xik SERINE/THREONINE
PROTEIN KINASE 25
(Homo
sapiens) 		7 / 12 VAL A  34
ALA A  47
LYS A  49
GLU A  66
TYR A  97
GLY A 101
LEU A 147
 J60  A1294 ( 4.9A)
J60  A1294 (-3.3A)
None
None
J60  A1294 (-4.5A)
J60  A1294 ( 3.8A)
J60  A1294 (-4.8A)
 0.69A 6bsdA-2xikA:
17.7		 6bsdA-2xikA:
12.01
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.
6BSD_A_1N1A901_0
(EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1)		 2y7j PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM
(Homo
sapiens) 		7 / 12 VAL A  38
ALA A  51
LYS A  53
ILE A  91
MET A 110
GLY A 113
LEU A 160
 None
B49  A1294 (-3.2A)
None
B49  A1294 ( 4.6A)
None
B49  A1294 (-3.6A)
B49  A1294 (-4.4A)
 0.38A 6bsdA-2y7jA:
23.3		 6bsdA-2y7jA:
11.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6C79_A_CE3A301_1
(BETA-LACTAMASE
TOHO-1)		 4c75 BETA-LACTAMASE
(synthetic
construct) 		8 / 12 TYR A 105
SER A 130
ASN A 132
ASN A 170
THR A 216
LYS A 234
GLY A 236
GLY A 238
 None
SO4  A 291 (-2.8A)
None
None
SO4  A 291 ( 4.1A)
SO4  A 291 (-3.4A)
NA  A 294 ( 3.2A)
None
 0.44A 6c79A-4c75A:
42.4		 6c79A-4c75A:
49.38
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.
6DLZ_A_CYZA1302_0
(GLUTAMATE RECEPTOR
2,VOLTAGE-DEPENDENT
CALCIUM CHANNEL
GAMMA-2 SUBUNIT)		 5w0a GLUCANASE
(Trichoderma
harzianum) 		5 / 10 PRO A 294
LEU A 302
SER A 213
ILE A 290
GLY A 225
 PRO  A 294 ( 1.1A)
LEU  A 302 ( 0.6A)
SER  A 213 ( 0.0A)
ILE  A 290 ( 0.7A)
GLY  A 225 ( 0.0A)
 1.10A 6dlzA-5w0aA:
undetectable
6dlzD-5w0aA:
undetectable		 6dlzA-5w0aA:
20.93
6dlzD-5w0aA:
20.93
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.
6DLZ_C_CYZC1302_0
(GLUTAMATE RECEPTOR
2,VOLTAGE-DEPENDENT
CALCIUM CHANNEL
GAMMA-2 SUBUNIT)		 5w0a GLUCANASE
(Trichoderma
harzianum) 		5 / 10 ILE A 290
GLY A 225
PRO A 294
LEU A 302
SER A 213
 ILE  A 290 ( 0.7A)
GLY  A 225 ( 0.0A)
PRO  A 294 ( 1.1A)
LEU  A 302 ( 0.6A)
SER  A 213 ( 0.0A)
 1.10A 6dlzB-5w0aA:
undetectable
6dlzC-5w0aA:
undetectable		 6dlzB-5w0aA:
20.93
6dlzC-5w0aA:
20.93
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.
6DM1_A_CYZA1302_0
(GLUTAMATE RECEPTOR
2,VOLTAGE-DEPENDENT
CALCIUM CHANNEL
GAMMA-2 SUBUNIT)		 5w0a GLUCANASE
(Trichoderma
harzianum) 		5 / 10 PRO A 294
LEU A 302
SER A 213
ILE A 290
GLY A 225
 PRO  A 294 ( 1.1A)
LEU  A 302 ( 0.6A)
SER  A 213 ( 0.0A)
ILE  A 290 ( 0.7A)
GLY  A 225 ( 0.0A)
 1.10A 6dm1A-5w0aA:
undetectable
6dm1D-5w0aA:
undetectable		 6dm1A-5w0aA:
20.93
6dm1D-5w0aA:
20.93
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.
6DM1_C_CYZC1302_0
(GLUTAMATE RECEPTOR
2,VOLTAGE-DEPENDENT
CALCIUM CHANNEL
GAMMA-2 SUBUNIT)		 5w0a GLUCANASE
(Trichoderma
harzianum) 		5 / 10 ILE A 290
GLY A 225
PRO A 294
LEU A 302
SER A 213
 ILE  A 290 ( 0.7A)
GLY  A 225 ( 0.0A)
PRO  A 294 ( 1.1A)
LEU  A 302 ( 0.6A)
SER  A 213 ( 0.0A)
 1.10A 6dm1B-5w0aA:
undetectable
6dm1C-5w0aA:
undetectable		 6dm1B-5w0aA:
20.93
6dm1C-5w0aA:
20.93
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.
6EXI_A_ADNA503_1
(ADENOSYLHOMOCYSTEINA
SE)		 1t6x RIBOFLAVIN
KINASE/FMN
ADENYLYLTRANSFERASE
(Thermotoga
maritima) 		3 / 3 LEU A 241
GLN A 244
LYS A 210
 ADP  A 294 (-3.5A)
None
None
 0.96A 6exiB-1t6xA:
undetectable		 6exiB-1t6xA:
13.71
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.
6FGC_A_ACTA810_0
(GEPHYRIN)		 2x2u PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE RECEPTOR RET
(Homo
sapiens) 		3 / 3 LEU A  40
SER A 148
PHE A 147
 None
BU1  A1294 (-3.3A)
None
 0.59A 6fgcA-2x2uA:
undetectable		 6fgcA-2x2uA:
19.01
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_A_STIA604_0
(TYROSINE-PROTEIN
KINASE ABL1)		 2xik SERINE/THREONINE
PROTEIN KINASE 25
(Homo
sapiens) 		7 / 12 VAL A  34
ALA A  47
LYS A  49
GLU A  66
ILE A  93
LEU A 147
ALA A 157
 J60  A1294 ( 4.9A)
J60  A1294 (-3.3A)
None
None
None
J60  A1294 (-4.8A)
J60  A1294 ( 4.2A)
 0.82A 6hd4A-2xikA:
18.3		 6hd4A-2xikA:
15.05
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.
6HD4_B_STIB602_0
(TYROSINE-PROTEIN
KINASE ABL1)		 2xik SERINE/THREONINE
PROTEIN KINASE 25
(Homo
sapiens) 		7 / 12 VAL A  34
ALA A  47
LYS A  49
GLU A  66
ILE A  93
LEU A 147
ALA A 157
 J60  A1294 ( 4.9A)
J60  A1294 (-3.3A)
None
None
None
J60  A1294 (-4.8A)
J60  A1294 ( 4.2A)
 0.79A 6hd4B-2xikA:
18.3		 6hd4B-2xikA:
15.05
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.
6HD6_A_STIA603_0
(TYROSINE-PROTEIN
KINASE ABL1)		 2xik SERINE/THREONINE
PROTEIN KINASE 25
(Homo
sapiens) 		7 / 12 VAL A  34
ALA A  47
LYS A  49
GLU A  66
ILE A  93
LEU A 147
ALA A 157
 J60  A1294 ( 4.9A)
J60  A1294 (-3.3A)
None
None
None
J60  A1294 (-4.8A)
J60  A1294 ( 4.2A)
 0.82A 6hd6A-2xikA:
23.6		 6hd6A-2xikA:
15.05
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.
6HD6_B_STIB601_1
(TYROSINE-PROTEIN
KINASE ABL1)		 2xik SERINE/THREONINE
PROTEIN KINASE 25
(Homo
sapiens) 		4 / 7 ILE A  93
GLY A 101
ARG A 139
ALA A 157
 None
J60  A1294 ( 3.8A)
TPO  A 174 ( 2.9A)
J60  A1294 ( 4.2A)
 0.64A 6hd6B-2xikA:
18.3		 6hd6B-2xikA:
15.05