PDB ID: 3snc


Macromolecule:
3C-LIKE PROTEINASE


Source Organism:
SARSr-CoV


Gene names:
-


UniProt ID:
P0C6U8

SIMILAR PATTERN OF AMINO ACIDS MAPPED TO PDBID '3snc'

1) User may click on the DrReposER ID (the first column) to get information on the binding sites and drug molecule.
2) Click View (the second last column) to view matched residues and superposition in the NGL viewer (upper right part).
3) User may also click on the Dock (the last column) to get script for molecular docking in UCSF Chimera through AutoDock Vina.


DrReposER ID / Desc. Drug Res.
Matches
View Interface RMSD Seq.
Identity (%)
HETATM 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.
6GBN_C_ADNC501_2
(-)
Adenosine4 / 5
GLN A  19
THR A  26
HIS A 163
GLY A 120
1.45A21.87
None
None
ECC  H   5 ( 3.9A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1A4L_A_DCFA353_2
(ADENOSINE DEAMINASE)
Pentostatin4 / 5
LEU A  32
LEU A  30
SER A  10
LEU A 115
1.16A21.39
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1S9P_B_DESB459_1
(ESTROGEN-RELATED
RECEPTOR GAMMA)
Diethylstilbestrol6 / 12
LEU A 262
LEU A 220
ALA A 267
LEU A 208
VAL A 212
LEU A 250
1.59A20.25
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FP9_D_SAMD401_1
(METHYLTRANSFERASE
NSUN4)
S-Adenosylmethionine3 / 3
ASP A  56
ARG A  60
ASP A  48
1.49A19.15
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1A4L_C_DCFC1353_2
(ADENOSINE DEAMINASE)
Pentostatin4 / 5
LEU A  32
LEU A  30
SER A  10
LEU A 115
1.22A21.39
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AYC_A_1YNA502_1
(PROTEIN CYP51)
Itraconazole5 / 12
PHE A   3
ALA A 210
TYR A 237
THR A 225
MET A 276
1.39A18.75
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WEN_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)
Acarbose5 / 12
ASP A 289
ASN A 238
ILE A 106
ARG A 131
HIS A 134
1.80A16.30
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1L5L_A_NIOA991_1
(NICOTINATE-NUCLEOTID
E--DIMETHYLBENZIMIDA
ZOLE
PHOSPHORIBOSYLTRANSF
ERASE)
Niacin5 / 9
THR A  26
GLY A 146
LEU A  27
SER A 147
GLY A  29
1.52A22.17
None
Potential target for repurposing, i.e. matched protein structure has less than 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)
Adenosine4 / 6
LEU A 167
GLY A 170
ALA A 193
THR H   3
0.96A20.80
None
None
None
ECC  H   5 ( 4.7A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4IKJ_B_SUZB201_1
(TRANSTHYRETIN)
Sulindac5 / 8
SER H   4
ALA A 191
LEU A 167
SER H   2
THR A 190
1.60A7.84
ECC  H   5 ( 4.9A)
ACE  H   0 ( 3.5A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JHY_A_NIOA991_1
(NICOTINATE
MONONUCLEOTIDE:5,6-D
IMETHYLBENZIMIDAZOLE
PHOSPHORIBOSYLTRANSF
ERASE)
Niacin5 / 9
THR A  26
GLY A 146
LEU A  27
SER A 147
GLY A  29
1.51A22.17
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JHR_A_NIOA991_1
(NICOTINATE
MONONUCLEOTIDE:5,6-D
IMETHYLBENZIMIDAZOLE
PHOSPHORIBOSYLTRANSF
ERASE)
Niacin5 / 9
THR A  26
GLY A 146
LEU A  27
SER A 147
GLY A  29
1.49A22.17
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NX9_A_AICA5001_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)
Ampicillin4 / 8
GLU A 166
HIS A 163
SER A 144
TYR A 118
1.45A18.10
ECC  H   5 ( 3.9A)
ECC  H   5 ( 3.9A)
ECC  H   5 ( 3.8A)
None
Potential target for repurposing, i.e. matched protein structure has less than 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_H_BO2H301_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)
Bortezomib5 / 12
SER H   4
THR H   3
GLN A 189
THR A  25
CYH A  44
1.63A3.47
2.96
ECC  H   5 ( 4.9A)
ECC  H   5 ( 4.7A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2W8Y_A_486A1000_1
(PROGESTERONE
RECEPTOR)
Mifepristone5 / 12
LEU A 208
LEU A 253
PHE A 219
LEU A 220
CYH A 265
1.55A20.77
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4J26_B_ESTB600_1
(ESTROGEN RECEPTOR
BETA)
Estradiol5 / 12
MET A 276
LEU A 272
MET A 264
LEU A 205
ILE A 281
1.69A20.25
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5CXV_A_0HKA501_1
(MUSCARINIC
ACETYLCHOLINE
RECEPTOR
M1,ENDOLYSIN,MUSCARI
NIC ACETYLCHOLINE
RECEPTOR M1)
Tiotropium5 / 12
ASP A 187
SER H   4
GLN A 189
ALA A  46
TYR A  54
1.73A21.47
None
ECC  H   5 ( 4.9A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ND7_B_TA1B601_2
(TUBULIN BETA-2B
CHAIN)
Paclitaxel3 / 3
THR A  35
PRO A  39
ARG A  40
1.24A20.86
None
None
DMS  A2309 ( 3.7A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JHO_A_NIOA991_1
(NICOTINATE
MONONUCLEOTIDE:5,6-D
IMETHYLBENZIMIDAZOLE
PHOSPHORIBOSYLTRANSF
ERASE)
Niacin5 / 9
THR A  26
GLY A 146
LEU A  27
SER A 147
GLY A  29
1.49A22.17
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PNL_B_PACB559_0
(PENICILLIN
AMIDOHYDROLASE)
Phenylacetic acid4 / 8
PHE A 305
SER A   1
SER A 301
ASN A 214
1.35A19.93
20.43
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K36_A_SAMA504_0
(ANAEROBIC
SULFATASE-MATURATING
ENZYME)
S-Adenosylmethionine5 / 12
GLN A 192
ASN H   1
SER H   2
LEU A 167
CYH A 145
1.46A19.05
None
ACE  H   0 ( 3.7A)
None
None
ECC  H   5 ( 1.7A)
Potential target for repurposing, i.e. matched protein structure has less than 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_2
(G-PROTEIN COUPLED
RECEPTOR KINASE 2)
Paroxetine3 / 3
LEU A 272
MET A 235
ASP A 229
1.74A18.28
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ERR_A_RALA600_1
(ESTROGEN RECEPTOR)
Raloxifene5 / 12
THR A 292
ALA A 206
LEU A 250
LEU A 282
ILE A 286
1.62A21.82
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ADM_A_SAMA500_0
(ADENINE-N6-DNA-METHY
LTRANSFERASE TAQI)
S-Adenosylmethionine5 / 11
THR A 257
ALA A 206
PRO A 252
ASP A 295
ASP A 289
1.64A21.51
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3V4T_H_ACTH502_0
(UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE)
Acetic acid3 / 3
SER A 301
GLY A 302
GLN A 256
1.19A22.49
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MX1_D_THAD4_2
(LIVER
CARBOXYLESTERASE I)
Tacrine3 / 3
PHE A 103
LEU A  32
MET A  17
1.54A20.99
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6MXT_A_K5YA1401_0
(ENDOLYSIN, BETA-2
ADRENERGIC RECEPTOR
CHIMERA)
Salmeterol5 / 12
VAL A  13
ASP A 176
PHE A 159
ILE A 106
ASN A 151
1.58A19.79
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5N5D_A_SAMA306_1
(METHYLTRANSFERASE)
S-Adenosylmethionine4 / 7
LEU A  50
SER H   4
ILE A  43
ASN A  53
1.05A21.20
None
ECC  H   5 ( 4.9A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JHV_A_NIOA991_1
(NICOTINATE
MONONUCLEOTIDE:5,6-D
IMETHYLBENZIMIDAZOLE
PHOSPHORIBOSYLTRANSF
ERASE)
Niacin5 / 8
THR A  26
GLY A 146
LEU A  27
SER A 147
GLY A  29
1.50A22.17
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JAY_A_SAMA1101_0
(STRUCTURAL PROTEIN
VP3)
S-Adenosylmethionine5 / 12
SER A 144
GLU A 166
ARG A 131
ILE A 136
GLU A 290
1.48A14.61
ECC  H   5 ( 3.8A)
ECC  H   5 ( 3.9A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XO7_B_ASDB402_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2)
4-Androstenedione4 / 7
TYR A 239
VAL A 204
TRP A 207
ILE A 281
1.60A21.43
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5L5Z_H_BO2H301_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)
Bortezomib5 / 12
SER H   4
THR H   3
GLN A 189
THR A  25
CYH A  44
1.63A3.47
2.96
ECC  H   5 ( 4.9A)
ECC  H   5 ( 4.7A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DG4_A_RAPA501_1
(FK506-BINDING
PROTEIN 1A)
Sirolimus5 / 11
TYR A 161
GLU A 290
ILE A 106
PHE A 112
HIS A 134
1.70A16.61
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DZ6_B_CAMB502_0
(CYTOCHROME P450-CAM)
Camphor4 / 5
PHE A 103
TYR A  37
VAL A 148
VAL A 157
1.78A20.56
None
Potential target for repurposing, i.e. matched protein structure has less than 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)
Benzyl Benzoate5 / 12
LEU A 202
SER A 254
VAL A 261
ASP A 248
GLY A 251
1.63A22.05
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ND7_B_TA1B601_2
(TUBULIN BETA-2B
CHAIN)
Paclitaxel3 / 3
THR H   3
PRO A  39
ARG A  40
1.10A1.30
ECC  H   5 ( 4.7A)
None
DMS  A2309 ( 3.7A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OU6_C_SAMC300_0
(SAM-DEPENDENT
METHYLTRANSFERASE)
S-Adenosylmethionine5 / 12
TYR A 209
ALA A 210
GLY A 215
ASP A 216
LEU A 282
1.64A20.86
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ZOW_A_CLMA500_0
(MULTIDRUG
TRANSPORTER MDFA)
Chloramphenicol5 / 11
ASP A 248
LEU A 227
LEU A 253
LEU A 202
LEU A 242
1.33A23.49
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3VHU_A_SNLA1001_1
(MINERALOCORTICOID
RECEPTOR)
Spironolactone5 / 12
LEU A 227
ASN A 231
ALA A 234
LEU A 205
THR A 243
1.38A21.86
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OAX_B_SNLB2001_1
(MINERALOCORTICOID
RECEPTOR)
Spironolactone5 / 12
LEU A 227
ASN A 231
ALA A 234
LEU A 205
THR A 243
1.42A22.29
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4IB4_A_ERMA2001_1
(CHIMERA PROTEIN OF
HUMAN
5-HYDROXYTRYPTAMINE
RECEPTOR 2B AND E.
COLI SOLUBLE
CYTOCHROME B562)
Ergotamine5 / 12
LEU A  27
SER H   4
MET A 162
ALA A 173
PHE A 181
1.42A21.25
None
ECC  H   5 ( 4.9A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QD3_A_CHDA502_0
(FERROCHELATASE)
Cholic Acid4 / 8
ARG A 105
SER H   2
GLY A 174
MET A 165
1.58A20.48
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IEO_A_VDYA206_1
(CDL2.3A)
Calcidiol5 / 12
LEU A 272
PHE A 230
LEU A 202
LEU A 250
THR A 199
1.47A16.99
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CCQ_A_ACTA1317_0
(THIOREDOXIN
REDUCTASE)
Acetic acid3 / 3
LEU A 167
GLU A 166
SER H   2
1.08A22.86
None
ECC  H   5 ( 3.9A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K36_B_SAMB504_0
(ANAEROBIC
SULFATASE-MATURATING
ENZYME)
S-Adenosylmethionine5 / 12
GLN A 306
ARG A 217
VAL A 212
ILE A 213
LEU A 253
1.40A19.05
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3A51_D_VDYD6178_1
(VITAMIN D
HYDROXYLASE)
Calcidiol5 / 12
ILE A 249
LEU A 202
VAL A 297
PRO A 252
LEU A 253
1.46A21.32
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4IKL_B_SUZB201_1
(TRANSTHYRETIN)
Sulindac5 / 8
SER H   4
ALA A 191
LEU A 167
SER H   2
THR A 190
1.50A7.84
ECC  H   5 ( 4.9A)
ACE  H   0 ( 3.5A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CJT_G_SAMG302_0
(RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE)
S-Adenosylmethionine6 / 12
LEU A  30
GLY A 149
SER A 113
VAL A 125
LEU A 115
LEU A  32
1.80A23.29
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MTH_A_ACTA302_0
(ANTIBODY FAB HEAVY
CHAIN)
Acetic acid4 / 5
SER A 254
ALA A 260
LEU A 220
ASP A 263
1.68A21.90
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K38_B_SAMB504_0
(ANAEROBIC
SULFATASE-MATURATING
ENZYME)
S-Adenosylmethionine5 / 12
GLN A 306
ARG A 217
VAL A 212
ILE A 213
LEU A 253
1.45A18.78
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1L5K_A_NIOA991_1
(NICOTINATE-NUCLEOTID
E--DIMETHYLBENZIMIDA
ZOLE
PHOSPHORIBOSYLTRANSF
ERASE)
Niacin5 / 9
THR A  26
GLY A 146
LEU A  27
SER A 147
GLY A  29
1.50A22.17
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OAX_C_SNLC3001_1
(MINERALOCORTICOID
RECEPTOR)
Spironolactone5 / 12
LEU A 227
ASN A 231
ALA A 234
LEU A 205
THR A 243
1.41A22.29
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1L4N_A_NIOA991_1
(NICOTINATE-NUCLEOTID
E--DIMETHYLBENZIMIDA
ZOLE
PHOSPHORIBOSYLTRANSF
ERASE)
Niacin5 / 9
THR A  26
GLY A 146
LEU A  27
SER A 147
GLY A  29
1.52A22.17
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KPD_B_SAMB1000_0
(UNCHARACTERIZED
PROTEIN MJ0100)
S-Adenosylmethionine5 / 12
TRP A 207
VAL A 297
ASN A 214
ILE A 213
PRO A 252
1.58A18.34
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4M11_D_MXMD606_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
Meloxicam5 / 12
VAL A 204
LEU A 220
LEU A 268
VAL A 212
LEU A 250
1.49A20.21
None
Potential target for repurposing, i.e. matched protein structure has less than 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)
Acetohydroxamic Acid4 / 5
LEU A 141
GLU A 166
HIS A 172
HIS A 163
1.58A19.49
None
ECC  H   5 ( 3.9A)
ECC  H   5 ( 4.9A)
ECC  H   5 ( 3.9A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ME7_A_MOAA600_1
(INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE)
Mycophenolic acid5 / 8
SER H   2
SER H   4
GLY A 143
CYH A 145
GLY A 174
1.66A5.95
None
ECC  H   5 ( 4.9A)
ECC  H   5 ( 4.1A)
ECC  H   5 ( 1.7A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4A6N_A_T1CA392_1
(TETX2 PROTEIN)
Tigecycline5 / 11
ARG A 279
PHE A 219
ASN A 277
GLY A 283
ASN A 214
1.37A23.59
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5AXD_A_RBVA502_1
(ADENOSYLHOMOCYSTEINA
SE)
Ribavirin5 / 12
THR A 135
GLU A 166
THR H   3
GLY A 174
HIS A 163
1.64A21.28
None
ECC  H   5 ( 3.9A)
ECC  H   5 ( 4.7A)
None
ECC  H   5 ( 3.9A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1YA3_B_STRB2001_1
(MINERALOCORTICOID
RECEPTOR)
Progesterone5 / 12
LEU A 227
ASN A 231
ALA A 234
LEU A 205
THR A 243
1.41A22.60
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2BXM_A_IMNA2001_1
(SERUM ALBUMIN)
Indomethacin4 / 8
SER H   2
ALA A 173
ARG A  40
LEU A  27
1.09A0.86
None
None
DMS  A2309 ( 3.7A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IEP_A_VDYA201_1
(CDL2.3B)
Calcidiol5 / 12
LEU A 272
PHE A 230
LEU A 202
LEU A 250
THR A 199
1.46A16.99
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WEO_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)
Acarbose5 / 12
ASP A 289
ASN A 238
ILE A 106
ARG A 131
HIS A 134
1.79A16.30
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1L5M_A_NIOA991_1
(NICOTINATE-NUCLEOTID
E--DIMETHYLBENZIMIDA
ZOLE
PHOSPHORIBOSYLTRANSF
ERASE)
Niacin5 / 9
THR A  26
GLY A 146
LEU A  27
SER A 147
GLY A  29
1.51A22.17
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QTU_B_SAMB301_1
(PUTATIVE
METHYLTRANSFERASE
BUD23)
S-Adenosylmethionine4 / 5
GLN A 189
SER H   4
ASP A  48
ASP A  56
1.80A21.00
None
ECC  H   5 ( 4.9A)
None
None