SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'CDP'


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.
1ESW_A_ACRA652_1
(AMYLOMALTASE)		 2v8p 4-DIPHOSPHOCYTIDYL-2
-C-METHYL-D-ERYTHRIT
OL KINASE
(Aquifex
aeolicus) 		4 / 6 GLY A 239
GLY A 172
TYR A 175
SER A 168
 None
CDP  A1269 (-3.4A)
CDP  A1269 (-3.6A)
None
 0.79A 1eswA-2v8pA:
undetectable		 1eswA-2v8pA:
20.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JFF_B_TA1B601_1
(TUBULIN BETA CHAIN)		 5bo6 SIA-ALPHA-2,3-GAL-BE
TA-1,4-GLCNAC-R:ALPH
A
2,8-SIALYLTRANSFERAS
E
(Homo
sapiens) 		5 / 12 LEU A 376
SER A 300
PHE A 321
LEU A 374
THR A 375
 None
CDP  A 411 (-2.7A)
CDP  A 411 (-4.4A)
None
None
 1.23A 1jffB-5bo6A:
undetectable		 1jffB-5bo6A:
22.65
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.
1RK3_A_VDXA500_1
(VITAMIN D3 RECEPTOR)		 3akc CYTIDYLATE KINASE
(Thermus
thermophilus) 		5 / 12 TYR A 141
SER A  13
SER A 179
VAL A  97
HIS A  89
 None
ADP  A 210 (-3.5A)
None
CDP  A 209 (-4.3A)
None
 1.47A 1rk3A-3akcA:
undetectable		 1rk3A-3akcA:
20.67
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.
2A1H_B_GBNB501_1
(BRANCHED CHAIN
AMINOTRANSFERASE)		 3akc CYTIDYLATE KINASE
(Thermus
thermophilus) 		5 / 8 TYR A  37
VAL A 110
GLY A 129
THR A 130
ALA A 131
 CDP  A 209 (-3.9A)
None
None
None
None
 1.02A 2a1hA-3akcA:
undetectable
2a1hB-3akcA:
undetectable		 2a1hA-3akcA:
21.37
2a1hB-3akcA:
21.37
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.
2BNN_B_FCNB1199_1
(EPOXIDASE)		 2az3 NUCLEOSIDE
DIPHOSPHATE KINASE
(Halobacterium
salinarum) 		4 / 8 HIS A 119
GLU A 132
HIS A  52
ALA A 128
 CDP  A1100 (-4.3A)
None
None
None
 0.64A 2bnnA-2az3A:
undetectable
2bnnB-2az3A:
undetectable		 2bnnA-2az3A:
21.67
2bnnB-2az3A:
21.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2COI_A_GBNA420_1
(BRANCHED CHAIN
AMINOTRANSFERASE 1,
CYTOSOLIC)		 3akc CYTIDYLATE KINASE
(Thermus
thermophilus) 		5 / 10 GLY A 129
THR A 130
ALA A 131
TYR A  37
VAL A 110
 None
None
None
CDP  A 209 (-3.9A)
None
 1.02A 2coiA-3akcA:
undetectable
2coiB-3akcA:
undetectable		 2coiA-3akcA:
22.05
2coiB-3akcA:
22.05
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.
2COI_B_GBNB420_1
(BRANCHED CHAIN
AMINOTRANSFERASE 1,
CYTOSOLIC)		 3akc CYTIDYLATE KINASE
(Thermus
thermophilus) 		5 / 10 TYR A  37
VAL A 110
GLY A 129
THR A 130
ALA A 131
 CDP  A 209 (-3.9A)
None
None
None
None
 0.98A 2coiA-3akcA:
undetectable
2coiB-3akcA:
undetectable		 2coiA-3akcA:
22.05
2coiB-3akcA:
22.05
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.
2COJ_A_GBNA420_1
(BRANCHED CHAIN
AMINOTRANSFERASE 1,
CYTOSOLIC)		 3akc CYTIDYLATE KINASE
(Thermus
thermophilus) 		5 / 11 GLY A 129
THR A 130
ALA A 131
TYR A  37
VAL A 110
 None
None
None
CDP  A 209 (-3.9A)
None
 1.00A 2cojA-3akcA:
undetectable
2cojB-3akcA:
undetectable		 2cojA-3akcA:
22.05
2cojB-3akcA:
22.05
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.
2COJ_B_GBNB420_1
(BRANCHED CHAIN
AMINOTRANSFERASE 1,
CYTOSOLIC)		 3akc CYTIDYLATE KINASE
(Thermus
thermophilus) 		5 / 9 TYR A  37
VAL A 110
GLY A 129
THR A 130
ALA A 131
 CDP  A 209 (-3.9A)
None
None
None
None
 1.00A 2cojA-3akcA:
undetectable
2cojB-3akcA:
undetectable		 2cojA-3akcA:
22.05
2cojB-3akcA:
22.05
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.
2HXF_B_TA1B601_1
(TUBULIN BETA CHAIN)		 5bo6 SIA-ALPHA-2,3-GAL-BE
TA-1,4-GLCNAC-R:ALPH
A
2,8-SIALYLTRANSFERAS
E
(Homo
sapiens) 		5 / 12 LEU A 376
SER A 300
PHE A 321
LEU A 374
THR A 375
 None
CDP  A 411 (-2.7A)
CDP  A 411 (-4.4A)
None
None
 1.23A 2hxfB-5bo6A:
undetectable		 2hxfB-5bo6A:
22.65
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.
2HXH_B_TA1B601_1
(TUBULIN BETA CHAIN)		 5bo6 SIA-ALPHA-2,3-GAL-BE
TA-1,4-GLCNAC-R:ALPH
A
2,8-SIALYLTRANSFERAS
E
(Homo
sapiens) 		5 / 12 LEU A 376
SER A 300
PHE A 321
LEU A 374
THR A 375
 None
CDP  A 411 (-2.7A)
CDP  A 411 (-4.4A)
None
None
 1.23A 2hxhB-5bo6A:
undetectable		 2hxhB-5bo6A:
22.65
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.
2P4N_B_TA1B601_1
(TUBULIN BETA CHAIN)		 5bo6 SIA-ALPHA-2,3-GAL-BE
TA-1,4-GLCNAC-R:ALPH
A
2,8-SIALYLTRANSFERAS
E
(Homo
sapiens) 		5 / 12 LEU A 376
SER A 300
PHE A 321
LEU A 374
THR A 375
 None
CDP  A 411 (-2.7A)
CDP  A 411 (-4.4A)
None
None
 1.23A 2p4nB-5bo6A:
undetectable		 2p4nB-5bo6A:
22.65
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.
2WBE_B_TA1B1439_1
(TUBULIN BETA-2B
CHAIN)		 5bo6 SIA-ALPHA-2,3-GAL-BE
TA-1,4-GLCNAC-R:ALPH
A
2,8-SIALYLTRANSFERAS
E
(Homo
sapiens) 		5 / 12 LEU A 376
SER A 300
PHE A 321
LEU A 374
THR A 375
 None
CDP  A 411 (-2.7A)
CDP  A 411 (-4.4A)
None
None
 1.23A 2wbeB-5bo6A:
undetectable		 2wbeB-5bo6A:
22.65
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.
2Y05_A_RALA801_1
(PROSTAGLANDIN
REDUCTASE 1)		 2uzh 2C-METHYL-D-ERYTHRIT
OL
2,4-CYCLODIPHOSPHATE
SYNTHASE
(Mycolicibacteriu
m
smegmatis) 		4 / 8 VAL A  42
SER A 120
VAL A 108
VAL A  99
 None
GOL  A1161 ( 4.0A)
CDP  A1158 (-4.0A)
None
 1.09A 2y05A-2uzhA:
undetectable
2y05B-2uzhA:
undetectable		 2y05A-2uzhA:
21.28
2y05B-2uzhA:
21.28
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.
3DCO_B_TA1B601_1
(BOVINE BETA TUBULIN)		 5bo6 SIA-ALPHA-2,3-GAL-BE
TA-1,4-GLCNAC-R:ALPH
A
2,8-SIALYLTRANSFERAS
E
(Homo
sapiens) 		5 / 12 LEU A 376
SER A 300
PHE A 321
LEU A 374
THR A 375
 None
CDP  A 411 (-2.7A)
CDP  A 411 (-4.4A)
None
None
 1.23A 3dcoB-5bo6A:
undetectable		 3dcoB-5bo6A:
22.65
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.
3LSL_A_PZIA800_0
(GLUTAMATE RECEPTOR 2)		 2v8p 4-DIPHOSPHOCYTIDYL-2
-C-METHYL-D-ERYTHRIT
OL KINASE
(Aquifex
aeolicus) 		4 / 7 TYR A 175
ASN A 206
LEU A 208
SER A 236
 CDP  A1269 (-3.6A)
None
None
None
 1.35A 3lslA-2v8pA:
undetectable
3lslD-2v8pA:
undetectable		 3lslA-2v8pA:
22.62
3lslD-2v8pA:
22.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LSL_D_PZID800_0
(GLUTAMATE RECEPTOR 2)		 2v8p 4-DIPHOSPHOCYTIDYL-2
-C-METHYL-D-ERYTHRIT
OL KINASE
(Aquifex
aeolicus) 		4 / 7 SER A 236
TYR A 175
ASN A 206
LEU A 208
 None
CDP  A1269 (-3.6A)
None
None
 1.35A 3lslA-2v8pA:
undetectable
3lslD-2v8pA:
undetectable		 3lslA-2v8pA:
22.62
3lslD-2v8pA:
22.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MDT_A_VORA506_1
(CHOLESTEROL
24-HYDROXYLASE)		 2v8p 4-DIPHOSPHOCYTIDYL-2
-C-METHYL-D-ERYTHRIT
OL KINASE
(Aquifex
aeolicus) 		5 / 9 LEU A  14
VAL A 235
ILE A 211
ALA A 212
THR A 171
 None
CL  A1273 (-4.7A)
None
None
CDP  A1269 ( 4.1A)
 1.24A 3mdtA-2v8pA:
undetectable		 3mdtA-2v8pA:
21.63
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.
3MS9_B_STIB1_2
(TYROSINE-PROTEIN
KINASE ABL1)		 3akc CYTIDYLATE KINASE
(Thermus
thermophilus) 		4 / 7 TYR A  30
VAL A 117
ILE A   4
ARG A 107
 None
None
None
CDP  A 209 (-2.9A)
 1.12A 3ms9B-3akcA:
undetectable		 3ms9B-3akcA:
20.88
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.
3Q5S_A_ACHA1289_0
(MULTIDRUG-EFFLUX
TRANSPORTER 1
REGULATOR)		 1orr CDP-TYVELOSE-2-EPIME
RASE
(Salmonella
enterica) 		4 / 6 VAL A 305
ASN A 126
TYR A 153
GLU A 133
 None
CDP  A1201 (-3.3A)
None
None
 1.20A 3q5sA-1orrA:
0.0		 3q5sA-1orrA:
22.75
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.
3ROX_A_TEPA266_1
(APOLIPOPROTEIN
A-I-BINDING PROTEIN)		 3akc CYTIDYLATE KINASE
(Thermus
thermophilus) 		4 / 8 ALA A 101
VAL A 100
LEU A  57
LEU A  36
 CDP  A 209 (-3.6A)
None
None
None
 0.78A 3roxA-3akcA:
undetectable		 3roxA-3akcA:
20.28
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.
3VT3_A_VDXA500_1
(VITAMIN D3 RECEPTOR)		 3akc CYTIDYLATE KINASE
(Thermus
thermophilus) 		5 / 12 TYR A 141
SER A  13
SER A 179
VAL A  97
HIS A  89
 None
ADP  A 210 (-3.5A)
None
CDP  A 209 (-4.3A)
None
 1.44A 3vt3A-3akcA:
undetectable		 3vt3A-3akcA:
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.
4A97_A_ZPCA1318_2
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		 2az3 NUCLEOSIDE
DIPHOSPHATE KINASE
(Halobacterium
salinarum) 		4 / 7 ARG A 106
ILE A 118
ASN A 116
GLU A  55
 CDP  A1100 ( 4.8A)
None
CDP  A1100 (-3.1A)
MG  A 201 ( 2.7A)
 1.08A 4a97E-2az3A:
undetectable		 4a97E-2az3A:
18.30
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.
4A97_B_ZPCB1318_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		 2az3 NUCLEOSIDE
DIPHOSPHATE KINASE
(Halobacterium
salinarum) 		5 / 12 ARG A 106
ILE A 118
ASN A 116
GLU A  55
VAL A  10
 CDP  A1100 ( 4.8A)
None
CDP  A1100 (-3.1A)
MG  A 201 ( 2.7A)
None
 1.45A 4a97A-2az3A:
0.7
4a97B-2az3A:
0.7		 4a97A-2az3A:
18.30
4a97B-2az3A:
18.30
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.
4A97_D_ZPCD1318_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		 2az3 NUCLEOSIDE
DIPHOSPHATE KINASE
(Halobacterium
salinarum) 		4 / 8 ARG A 106
ILE A 118
ASN A 116
GLU A  55
 CDP  A1100 ( 4.8A)
None
CDP  A1100 (-3.1A)
MG  A 201 ( 2.7A)
 1.08A 4a97C-2az3A:
undetectable		 4a97C-2az3A:
18.30
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.
4AX8_A_SAMA1474_0
(WBDD)		 2yk6 CMP-N-ACETYLNEURAMIN
ATE-BETA-GALACTOSAMI
DE-ALPHA-2,3-SIALYLT
RANSFERASE
(Neisseria
meningitidis) 		5 / 12 ALA A 325
ILE A 299
ILE A 303
VAL A 334
ILE A 307
 None
CDP  A1374 (-4.1A)
None
None
None
 0.99A 4ax8A-2yk6A:
2.1		 4ax8A-2yk6A:
20.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AZV_A_SAMA1474_0
(WBDD)		 2yk6 CMP-N-ACETYLNEURAMIN
ATE-BETA-GALACTOSAMI
DE-ALPHA-2,3-SIALYLT
RANSFERASE
(Neisseria
meningitidis) 		5 / 12 ALA A 325
ILE A 299
ILE A 303
VAL A 334
ILE A 307
 None
CDP  A1374 (-4.1A)
None
None
None
 1.00A 4azvA-2yk6A:
2.2		 4azvA-2yk6A:
20.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LV9_A_20JA601_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		 3akc CYTIDYLATE KINASE
(Thermus
thermophilus) 		4 / 8 ARG A 170
ASP A 175
ALA A 101
ARG A 102
 None
CDP  A 209 (-2.8A)
CDP  A 209 (-3.6A)
None
 1.09A 4lv9A-3akcA:
undetectable
4lv9B-3akcA:
undetectable		 4lv9A-3akcA:
17.30
4lv9B-3akcA:
17.30
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.
4MX0_A_BCZA513_1
(NEURAMINIDASE)		 3akc CYTIDYLATE KINASE
(Thermus
thermophilus) 		3 / 3 ARG A 171
ASP A 172
ARG A 153
 CDP  A 209 (-3.0A)
None
CDP  A 209 ( 3.0A)
 0.86A 4mx0A-3akcA:
undetectable		 4mx0A-3akcA:
16.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4P6X_G_HCYG900_1
(GLUCOCORTICOID
RECEPTOR)		 5bo6 SIA-ALPHA-2,3-GAL-BE
TA-1,4-GLCNAC-R:ALPH
A
2,8-SIALYLTRANSFERAS
E
(Homo
sapiens) 		5 / 12 GLY A 302
LEU A 299
GLN A 100
THR A 372
ILE A 316
 CDP  A 411 (-3.3A)
None
None
None
None
 1.37A 4p6xG-5bo6A:
undetectable		 4p6xG-5bo6A:
21.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4P6X_I_HCYI900_1
(GLUCOCORTICOID
RECEPTOR)		 5bo6 SIA-ALPHA-2,3-GAL-BE
TA-1,4-GLCNAC-R:ALPH
A
2,8-SIALYLTRANSFERAS
E
(Homo
sapiens) 		5 / 12 GLY A 302
LEU A 299
GLN A 100
THR A 372
ILE A 316
 CDP  A 411 (-3.3A)
None
None
None
None
 1.39A 4p6xI-5bo6A:
undetectable		 4p6xI-5bo6A:
21.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QVL_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 2uzh 2C-METHYL-D-ERYTHRIT
OL
2,4-CYCLODIPHOSPHATE
SYNTHASE
(Mycolicibacteriu
m
smegmatis) 		5 / 11 THR A 134
THR A 133
THR A 132
ARG A 142
GLY A 143
 None
CDP  A1158 (-2.7A)
CDP  A1158 (-3.3A)
None
None
 1.42A 4qvlV-2uzhA:
undetectable
4qvlb-2uzhA:
undetectable		 4qvlV-2uzhA:
22.22
4qvlb-2uzhA:
22.39
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.
4QVL_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 2uzh 2C-METHYL-D-ERYTHRIT
OL
2,4-CYCLODIPHOSPHATE
SYNTHASE
(Mycolicibacteriu
m
smegmatis) 		5 / 11 THR A 134
THR A 133
THR A 132
ARG A 142
GLY A 143
 None
CDP  A1158 (-2.7A)
CDP  A1158 (-3.3A)
None
None
 1.42A 4qvlH-2uzhA:
undetectable
4qvlN-2uzhA:
undetectable		 4qvlH-2uzhA:
22.22
4qvlN-2uzhA:
22.39
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.
4QVM_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 2uzh 2C-METHYL-D-ERYTHRIT
OL
2,4-CYCLODIPHOSPHATE
SYNTHASE
(Mycolicibacteriu
m
smegmatis) 		5 / 11 THR A 134
THR A 133
THR A 132
ARG A 142
GLY A 143
 None
CDP  A1158 (-2.7A)
CDP  A1158 (-3.3A)
None
None
 1.42A 4qvmV-2uzhA:
undetectable
4qvmb-2uzhA:
undetectable		 4qvmV-2uzhA:
22.22
4qvmb-2uzhA:
22.39
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.
4QVM_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 2uzh 2C-METHYL-D-ERYTHRIT
OL
2,4-CYCLODIPHOSPHATE
SYNTHASE
(Mycolicibacteriu
m
smegmatis) 		5 / 11 THR A 134
THR A 133
THR A 132
ARG A 142
GLY A 143
 None
CDP  A1158 (-2.7A)
CDP  A1158 (-3.3A)
None
None
 1.41A 4qvmH-2uzhA:
undetectable
4qvmN-2uzhA:
undetectable		 4qvmH-2uzhA:
22.22
4qvmN-2uzhA:
22.39
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.
4QVP_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 2uzh 2C-METHYL-D-ERYTHRIT
OL
2,4-CYCLODIPHOSPHATE
SYNTHASE
(Mycolicibacteriu
m
smegmatis) 		5 / 11 THR A 134
THR A 133
THR A 132
ARG A 142
GLY A 143
 None
CDP  A1158 (-2.7A)
CDP  A1158 (-3.3A)
None
None
 1.41A 4qvpV-2uzhA:
undetectable
4qvpb-2uzhA:
undetectable		 4qvpV-2uzhA:
22.22
4qvpb-2uzhA:
22.39
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.
4QVP_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 2uzh 2C-METHYL-D-ERYTHRIT
OL
2,4-CYCLODIPHOSPHATE
SYNTHASE
(Mycolicibacteriu
m
smegmatis) 		5 / 11 THR A 134
THR A 133
THR A 132
ARG A 142
GLY A 143
 None
CDP  A1158 (-2.7A)
CDP  A1158 (-3.3A)
None
None
 1.41A 4qvpH-2uzhA:
undetectable
4qvpN-2uzhA:
undetectable		 4qvpH-2uzhA:
22.22
4qvpN-2uzhA:
22.39
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.
4QVQ_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 2uzh 2C-METHYL-D-ERYTHRIT
OL
2,4-CYCLODIPHOSPHATE
SYNTHASE
(Mycolicibacteriu
m
smegmatis) 		5 / 11 THR A 134
THR A 133
THR A 132
ARG A 142
GLY A 143
 None
CDP  A1158 (-2.7A)
CDP  A1158 (-3.3A)
None
None
 1.41A 4qvqV-2uzhA:
undetectable
4qvqb-2uzhA:
undetectable		 4qvqV-2uzhA:
22.22
4qvqb-2uzhA:
22.39
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.
4QVQ_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 2uzh 2C-METHYL-D-ERYTHRIT
OL
2,4-CYCLODIPHOSPHATE
SYNTHASE
(Mycolicibacteriu
m
smegmatis) 		5 / 11 THR A 134
THR A 133
THR A 132
ARG A 142
GLY A 143
 None
CDP  A1158 (-2.7A)
CDP  A1158 (-3.3A)
None
None
 1.41A 4qvqH-2uzhA:
undetectable
4qvqN-2uzhA:
undetectable		 4qvqH-2uzhA:
22.22
4qvqN-2uzhA:
22.39
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.
4QVW_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 2uzh 2C-METHYL-D-ERYTHRIT
OL
2,4-CYCLODIPHOSPHATE
SYNTHASE
(Mycolicibacteriu
m
smegmatis) 		5 / 11 THR A 134
THR A 133
THR A 132
ARG A 142
GLY A 143
 None
CDP  A1158 (-2.7A)
CDP  A1158 (-3.3A)
None
None
 1.42A 4qvwV-2uzhA:
undetectable
4qvwb-2uzhA:
undetectable		 4qvwV-2uzhA:
22.22
4qvwb-2uzhA:
22.39
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.
4QVW_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 2uzh 2C-METHYL-D-ERYTHRIT
OL
2,4-CYCLODIPHOSPHATE
SYNTHASE
(Mycolicibacteriu
m
smegmatis) 		5 / 11 THR A 134
THR A 133
THR A 132
ARG A 142
GLY A 143
 None
CDP  A1158 (-2.7A)
CDP  A1158 (-3.3A)
None
None
 1.41A 4qvwH-2uzhA:
undetectable
4qvwN-2uzhA:
undetectable		 4qvwH-2uzhA:
22.22
4qvwN-2uzhA:
22.39
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.
4QW0_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 2uzh 2C-METHYL-D-ERYTHRIT
OL
2,4-CYCLODIPHOSPHATE
SYNTHASE
(Mycolicibacteriu
m
smegmatis) 		5 / 11 THR A 134
THR A 133
THR A 132
ARG A 142
GLY A 143
 None
CDP  A1158 (-2.7A)
CDP  A1158 (-3.3A)
None
None
 1.40A 4qw0V-2uzhA:
undetectable
4qw0b-2uzhA:
undetectable		 4qw0V-2uzhA:
22.22
4qw0b-2uzhA:
22.39
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.
4QW0_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 2uzh 2C-METHYL-D-ERYTHRIT
OL
2,4-CYCLODIPHOSPHATE
SYNTHASE
(Mycolicibacteriu
m
smegmatis) 		5 / 11 THR A 134
THR A 133
THR A 132
ARG A 142
GLY A 143
 None
CDP  A1158 (-2.7A)
CDP  A1158 (-3.3A)
None
None
 1.40A 4qw0H-2uzhA:
undetectable
4qw0N-2uzhA:
undetectable		 4qw0H-2uzhA:
22.22
4qw0N-2uzhA:
22.39
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.
4QW1_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 2uzh 2C-METHYL-D-ERYTHRIT
OL
2,4-CYCLODIPHOSPHATE
SYNTHASE
(Mycolicibacteriu
m
smegmatis) 		5 / 11 THR A 134
THR A 133
THR A 132
ARG A 142
GLY A 143
 None
CDP  A1158 (-2.7A)
CDP  A1158 (-3.3A)
None
None
 1.42A 4qw1V-2uzhA:
undetectable
4qw1b-2uzhA:
undetectable		 4qw1V-2uzhA:
22.22
4qw1b-2uzhA:
22.39
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.
4QW1_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 2uzh 2C-METHYL-D-ERYTHRIT
OL
2,4-CYCLODIPHOSPHATE
SYNTHASE
(Mycolicibacteriu
m
smegmatis) 		5 / 11 THR A 134
THR A 133
THR A 132
ARG A 142
GLY A 143
 None
CDP  A1158 (-2.7A)
CDP  A1158 (-3.3A)
None
None
 1.41A 4qw1H-2uzhA:
undetectable
4qw1N-2uzhA:
undetectable		 4qw1H-2uzhA:
22.22
4qw1N-2uzhA:
22.39
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.
4QW3_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 2uzh 2C-METHYL-D-ERYTHRIT
OL
2,4-CYCLODIPHOSPHATE
SYNTHASE
(Mycolicibacteriu
m
smegmatis) 		5 / 11 THR A 134
THR A 133
THR A 132
ARG A 142
GLY A 143
 None
CDP  A1158 (-2.7A)
CDP  A1158 (-3.3A)
None
None
 1.41A 4qw3V-2uzhA:
undetectable
4qw3b-2uzhA:
undetectable		 4qw3V-2uzhA:
22.22
4qw3b-2uzhA:
22.39
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.
4QW3_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 2uzh 2C-METHYL-D-ERYTHRIT
OL
2,4-CYCLODIPHOSPHATE
SYNTHASE
(Mycolicibacteriu
m
smegmatis) 		5 / 11 THR A 134
THR A 133
THR A 132
ARG A 142
GLY A 143
 None
CDP  A1158 (-2.7A)
CDP  A1158 (-3.3A)
None
None
 1.41A 4qw3H-2uzhA:
undetectable
4qw3N-2uzhA:
undetectable		 4qw3H-2uzhA:
22.22
4qw3N-2uzhA:
22.39
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.
4QWU_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 2uzh 2C-METHYL-D-ERYTHRIT
OL
2,4-CYCLODIPHOSPHATE
SYNTHASE
(Mycolicibacteriu
m
smegmatis) 		5 / 11 THR A 134
THR A 133
THR A 132
ARG A 142
GLY A 143
 None
CDP  A1158 (-2.7A)
CDP  A1158 (-3.3A)
None
None
 1.40A 4qwuH-2uzhA:
undetectable
4qwuN-2uzhA:
undetectable		 4qwuH-2uzhA:
22.22
4qwuN-2uzhA:
22.39
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.
4X20_D_LOCD502_1
(TUBULIN ALPHA CHAIN
TUBULIN BETA CHAIN)		 3akc CYTIDYLATE KINASE
(Thermus
thermophilus) 		3 / 3 SER A  33
ALA A 123
VAL A 122
 CDP  A 209 (-3.1A)
None
None
 0.64A 4x20C-3akcA:
undetectable		 4x20C-3akcA:
18.50
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.
5BXN_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 2uzh 2C-METHYL-D-ERYTHRIT
OL
2,4-CYCLODIPHOSPHATE
SYNTHASE
(Mycolicibacteriu
m
smegmatis) 		5 / 11 THR A 134
THR A 133
THR A 132
ARG A 142
GLY A 143
 None
CDP  A1158 (-2.7A)
CDP  A1158 (-3.3A)
None
None
 1.41A 5bxnV-2uzhA:
undetectable
5bxnb-2uzhA:
undetectable		 5bxnV-2uzhA:
22.65
5bxnb-2uzhA:
22.39
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.
5BXN_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 2uzh 2C-METHYL-D-ERYTHRIT
OL
2,4-CYCLODIPHOSPHATE
SYNTHASE
(Mycolicibacteriu
m
smegmatis) 		5 / 11 THR A 134
THR A 133
THR A 132
ARG A 142
GLY A 143
 None
CDP  A1158 (-2.7A)
CDP  A1158 (-3.3A)
None
None
 1.40A 5bxnH-2uzhA:
undetectable
5bxnN-2uzhA:
undetectable		 5bxnH-2uzhA:
22.65
5bxnN-2uzhA:
22.39
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.
5CZ7_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 2uzh 2C-METHYL-D-ERYTHRIT
OL
2,4-CYCLODIPHOSPHATE
SYNTHASE
(Mycolicibacteriu
m
smegmatis) 		5 / 11 THR A 134
THR A 133
THR A 132
ARG A 142
GLY A 143
 None
CDP  A1158 (-2.7A)
CDP  A1158 (-3.3A)
None
None
 1.40A 5cz7H-2uzhA:
undetectable
5cz7N-2uzhA:
undetectable		 5cz7H-2uzhA:
22.22
5cz7N-2uzhA:
22.39
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.
5D0X_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 2uzh 2C-METHYL-D-ERYTHRIT
OL
2,4-CYCLODIPHOSPHATE
SYNTHASE
(Mycolicibacteriu
m
smegmatis) 		5 / 11 THR A 134
THR A 133
THR A 132
ARG A 142
GLY A 143
 None
CDP  A1158 (-2.7A)
CDP  A1158 (-3.3A)
None
None
 1.42A 5d0xV-2uzhA:
undetectable
5d0xb-2uzhA:
undetectable		 5d0xV-2uzhA:
22.22
5d0xb-2uzhA:
22.39
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.
5D0X_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 2uzh 2C-METHYL-D-ERYTHRIT
OL
2,4-CYCLODIPHOSPHATE
SYNTHASE
(Mycolicibacteriu
m
smegmatis) 		5 / 11 THR A 134
THR A 133
THR A 132
ARG A 142
GLY A 143
 None
CDP  A1158 (-2.7A)
CDP  A1158 (-3.3A)
None
None
 1.42A 5d0xH-2uzhA:
undetectable
5d0xN-2uzhA:
undetectable		 5d0xH-2uzhA:
22.22
5d0xN-2uzhA:
22.39
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.
5H1E_A_VDXA501_1
(VITAMIN D3 RECEPTOR)		 3akc CYTIDYLATE KINASE
(Thermus
thermophilus) 		5 / 12 TYR A 141
SER A  13
SER A 179
VAL A  97
HIS A  89
 None
ADP  A 210 (-3.5A)
None
CDP  A 209 (-4.3A)
None
 1.45A 5h1eA-3akcA:
undetectable		 5h1eA-3akcA:
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.
5L66_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 2uzh 2C-METHYL-D-ERYTHRIT
OL
2,4-CYCLODIPHOSPHATE
SYNTHASE
(Mycolicibacteriu
m
smegmatis) 		5 / 11 THR A 134
THR A 133
THR A 132
ARG A 142
GLY A 143
 None
CDP  A1158 (-2.7A)
CDP  A1158 (-3.3A)
None
None
 1.38A 5l66V-2uzhA:
undetectable
5l66b-2uzhA:
undetectable		 5l66V-2uzhA:
22.22
5l66b-2uzhA:
22.39
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.
5L66_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 2uzh 2C-METHYL-D-ERYTHRIT
OL
2,4-CYCLODIPHOSPHATE
SYNTHASE
(Mycolicibacteriu
m
smegmatis) 		5 / 11 THR A 134
THR A 133
THR A 132
ARG A 142
GLY A 143
 None
CDP  A1158 (-2.7A)
CDP  A1158 (-3.3A)
None
None
 1.38A 5l66H-2uzhA:
undetectable
5l66N-2uzhA:
undetectable		 5l66H-2uzhA:
22.22
5l66N-2uzhA:
22.39
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.
5LF3_B_BO2B305_1
(PROTEASOME SUBUNIT
BETA TYPE-6)		 2uzh 2C-METHYL-D-ERYTHRIT
OL
2,4-CYCLODIPHOSPHATE
SYNTHASE
(Mycolicibacteriu
m
smegmatis) 		5 / 12 THR A 134
THR A 133
THR A 132
ARG A 142
GLY A 143
 None
CDP  A1158 (-2.7A)
CDP  A1158 (-3.3A)
None
None
 1.40A 5lf3b-2uzhA:
undetectable		 5lf3b-2uzhA:
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.
5ODI_G_ACTG702_0
(HETERODISULFIDE
REDUCTASE, SUBUNIT A)		 2uzh 2C-METHYL-D-ERYTHRIT
OL
2,4-CYCLODIPHOSPHATE
SYNTHASE
(Mycolicibacteriu
m
smegmatis) 		3 / 3 GLY A 141
THR A 133
ASN A 104
 None
CDP  A1158 (-2.7A)
None
 0.67A 5odiG-2uzhA:
undetectable		 5odiG-2uzhA:
16.07
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.
5VOO_A_C2FA3001_0
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 3akc CYTIDYLATE KINASE
(Thermus
thermophilus) 		5 / 12 GLY A  14
ASP A   8
VAL A 132
LEU A 114
ARG A 153
 ADP  A 210 (-3.1A)
None
None
None
CDP  A 209 ( 3.0A)
 1.14A 5vooA-3akcA:
undetectable		 5vooA-3akcA:
25.16
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.
5VOO_C_C2FC702_0
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 3akc CYTIDYLATE KINASE
(Thermus
thermophilus) 		5 / 12 GLY A  14
ASP A   8
VAL A 132
LEU A 114
ARG A 153
 ADP  A 210 (-3.1A)
None
None
None
CDP  A 209 ( 3.0A)
 1.13A 5vooC-3akcA:
undetectable		 5vooC-3akcA:
25.16
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.
5YF0_B_SAMB503_0
(CARNOSINE
N-METHYLTRANSFERASE)		 2v8p 4-DIPHOSPHOCYTIDYL-2
-C-METHYL-D-ERYTHRIT
OL KINASE
(Aquifex
aeolicus) 		5 / 12 GLY A 237
ASN A 206
SER A 240
THR A 171
TYR A 175
 None
None
None
CDP  A1269 ( 4.1A)
CDP  A1269 (-3.6A)
 1.48A 5yf0B-2v8pA:
undetectable		 5yf0B-2v8pA:
22.81
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.
5ZVG_A_SAMA401_1
(389AA LONG
HYPOTHETICAL
NUCLEOLAR PROTEIN)		 3akc CYTIDYLATE KINASE
(Thermus
thermophilus) 		3 / 3 ASP A 175
ARG A 126
ASP A  94
 CDP  A 209 (-2.8A)
CDP  A 209 (-3.0A)
None
 0.83A 5zvgA-3akcA:
undetectable		 5zvgA-3akcA:
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.
5ZVG_B_SAMB401_1
(389AA LONG
HYPOTHETICAL
NUCLEOLAR PROTEIN)		 3akc CYTIDYLATE KINASE
(Thermus
thermophilus) 		3 / 3 ASP A 175
ARG A 126
ASP A  94
 CDP  A 209 (-2.8A)
CDP  A 209 (-3.0A)
None
 0.82A 5zvgB-3akcA:
undetectable		 5zvgB-3akcA:
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.
6EKZ_A_SNPA413_0
(AROMATIC
PEROXYGENASE)		 2vbt RIBOFLAVIN KINASE
(Methanocaldococc
us
jannaschii) 		4 / 7 ASP A 122
GLY A  16
SER A  13
GLY A  14
 None
CDP  A1137 ( 3.2A)
None
CDP  A1137 (-3.6A)
 0.90A 6ekzA-2vbtA:
undetectable		 6ekzA-2vbtA:
18.38