POTENTIAL TARGETS FROM HUMAN (RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES)
1) User may click on the DrReposER ID (the second 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. Hit
PDBID
Hit
Macromolecule
Res.
Matches
Interface HETATM RMSD 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.
3M0W_A_P77A203_1
(PROTEIN S100-A4)
5fwj HISTONE DEMETHYLASE
JARID1C
(Homo
sapiens)
5 / 10SER A 732
GLU A 677
LEU A 756
SER A 717
CYH A 649
None
1.45A14.63
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.
3M0W_B_P77B203_1
(PROTEIN S100-A4)
6cet GATOR COMPLEX
PROTEIN DEPDC5
GATOR COMPLEX
PROTEIN NPRL2
(Homo
sapiens)
5 / 9SER N 187
SER D 301
PHE D 343
GLU D 344
ASP D 395
None
1.41A19.00
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.
3M0W_B_P77B204_1
(PROTEIN S100-A4)
1tuz DIACYLGLYCEROL
KINASE ALPHA
(Homo
sapiens)
4 / 6CYH A  95
PHE A  53
PHE A  78
PHE A 103
None
1.39A20.33
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.
3M0W_B_P77B204_1
(PROTEIN S100-A4)
2a98 INOSITOL
1,4,5-TRISPHOSPHATE
3-KINASE C
(Homo
sapiens)
4 / 6CYH A 485
GLU A 555
PHE A 568
PHE A 584
None
I3P  A   1 ( 4.4A)
None
None
1.40A16.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3M0W_B_P77B204_1
(PROTEIN S100-A4)
3doe ADP-RIBOSYLATION
FACTOR-LIKE PROTEIN
2-BINDING PROTEIN
(Homo
sapiens)
4 / 6MET B 124
PHE B  52
PHE B  66
PHE B  44
None
1.43A24.70
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.
3M0W_B_P77B204_1
(PROTEIN S100-A4)
5fwm HEAT SHOCK PROTEIN
HSP 90 BETA
(Homo
sapiens)
4 / 6CYH A 589
GLU A 627
PHE A 499
PHE A 668
None
1.45A8.84
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.
3M0W_B_P77B204_1
(PROTEIN S100-A4)
6bq1 PHOSPHATIDYLINOSITOL
4-KINASE III ALPHA
(PI4KA)
(Homo
sapiens)
4 / 6MET A2019
CYH A2020
GLU A2018
PHE A1872
None
1.24A0.00
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.
3M0W_C_P77C203_1
(PROTEIN S100-A4)
2c4k PHOSPHORIBOSYL
PYROPHOSPHATE
SYNTHETASE-ASSOCIATE
D PROTEIN 1
(Homo
sapiens)
5 / 10SER A 186
SER A 154
PHE A 156
ILE A 331
LEU A 151
None
1.21A14.01
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.
3M0W_C_P77C203_1
(PROTEIN S100-A4)
2ji4 PHOSPHORIBOSYL
PYROPHOSPHATE
SYNTHETASE-ASSOCIATE
D PROTEIN 2
(Homo
sapiens)
5 / 10SER A 198
SER A 166
PHE A 168
ILE A 344
LEU A 163
None
CL  A1369 (-3.8A)
None
None
None
1.23A15.34
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.
3M0W_C_P77C203_1
(PROTEIN S100-A4)
2oxc PROBABLE
ATP-DEPENDENT RNA
HELICASE DDX20
(Homo
sapiens)
5 / 10PHE A  64
PHE A  82
ILE A 153
LEU A 121
ASP A 122
None
ADP  A 300 (-4.4A)
None
None
None
1.32A20.69
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.
3M0W_C_P77C203_1
(PROTEIN S100-A4)
3t5o COMPLEMENT COMPONENT
C6
(Homo
sapiens)
5 / 10ASP A 463
SER A 266
ILE A 295
LEU A 229
ASP A 228
None
1.47A8.29
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.
3M0W_C_P77C203_1
(PROTEIN S100-A4)
5fbh EXTRACELLULAR
CALCIUM-SENSING
RECEPTOR
(Homo
sapiens)
5 / 10SER B 170
SER B 296
ILE B 305
LEU B 276
ASP B 275
TCR  B 609 (-2.8A)
None
None
None
None
1.25A9.68
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.
3M0W_C_P77C203_1
(PROTEIN S100-A4)
5fwm HEAT SHOCK PROTEIN
HSP 90 BETA
(Homo
sapiens)
5 / 10ASP A  49
SER A  48
PHE A 361
ILE A 362
LEU A 388
None
1.35A8.84
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.
3M0W_C_P77C203_1
(PROTEIN S100-A4)
5hcc COMPLEMENT C5
(Homo
sapiens)
5 / 10ASP A1382
PHE A1493
PHE A1377
ILE A1467
LEU A1473
None
1.46A8.32
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.
3M0W_C_P77C203_1
(PROTEIN S100-A4)
5w4x UDP-GLUCOSE
6-DEHYDROGENASE
(Homo
sapiens)
5 / 10SER A 316
PHE A 314
ILE A 353
LEU A 357
ASP A 359
None
1.42A12.33
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.
3M0W_E_P77E203_1
(PROTEIN S100-A4)
1jeq KU70
(Homo
sapiens)
4 / 8SER A 236
PHE A  40
LEU A 202
ASP A 201
None
0.93A10.67
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.
3M0W_E_P77E203_1
(PROTEIN S100-A4)
1k8m E2 COMPONENT OF
BRANCHED-CHAIN
ALPHA-KETOACID
DEHYDROGENASE
(Homo
sapiens)
4 / 8ASP A  85
SER A  10
CYH A  39
LEU A  75
None
1.04A19.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3M0W_E_P77E203_1
(PROTEIN S100-A4)
1l8k T-CELL
PROTEIN-TYROSINE
PHOSPHATASE
(Homo
sapiens)
4 / 8SER A 268
PHE A 195
LEU A 233
ASP A 230
None
1.04A14.42
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.
3M0W_E_P77E203_1
(PROTEIN S100-A4)
1z8l GLUTAMATE
CARBOXYPEPTIDASE II
(Homo
sapiens)
4 / 8ASP A 714
SER A 717
LEU A 188
ASP A 184
None
1.00A9.25
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.
3M0W_E_P77E203_1
(PROTEIN S100-A4)
2b5m DAMAGE-SPECIFIC DNA
BINDING PROTEIN 1
(Homo
sapiens)
4 / 8SER A 730
SER A 818
LEU A 821
ASP A 824
None
1.05A7.20
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.
3M0W_E_P77E203_1
(PROTEIN S100-A4)
3bpt 3-HYDROXYISOBUTYRYL-
COA HYDROLASE
(Homo
sapiens)
4 / 8CYH A 336
PHE A 342
LEU A 332
ASP A 177
None
None
None
HIU  A 502 (-2.8A)
1.06A16.45
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.
3M0W_E_P77E203_1
(PROTEIN S100-A4)
3mvj CAMP-DEPENDENT
PROTEIN KINASE
CATALYTIC SUBUNIT
ALPHA
(Homo
sapiens)
4 / 8PHE A 314
PHE A 145
LEU A 173
ASP A 175
None
None
XFE  A 351 (-4.6A)
None
1.05A14.45
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.
3M0W_E_P77E203_1
(PROTEIN S100-A4)
3rbl AROMATIC L-AMINO
ACID DECARBOXYLASE
(Homo
sapiens)
4 / 8ASP A 189
SER A 188
SER A 250
CYH A 438
None
0.98A12.70
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.
3M0W_E_P77E203_1
(PROTEIN S100-A4)
3uon HUMAN M2 MUSCARINIC
ACETYLCHOLINE,
RECEPTOR T4 LYSOZYME
FUSION PROTEIN
(Escherichia
virus
T4;
Homo
sapiens)
4 / 8ASP A 103
SER A 107
SER A 433
LEU A  33
QNB  A1162 (-3.1A)
QNB  A1162 (-3.4A)
None
None
1.04A12.97
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.
3M0W_E_P77E203_1
(PROTEIN S100-A4)
4g1c NAD-DEPENDENT
PROTEIN DEACYLASE
SIRTUIN-5,
MITOCHONDRIAL
(Homo
sapiens)
4 / 8ASP A 143
SER A  62
SER A  57
LEU A 155
CNA  A 402 (-3.7A)
CNA  A 402 ( 4.1A)
None
None
0.84A20.95
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.
3M0W_E_P77E203_1
(PROTEIN S100-A4)
4rh7 GREEN FLUORESCENT
PROTEIN/CYTOPLASMIC
DYNEIN 2 HEAVY CHAIN
1
(Homo
sapiens;
synthetic
construct)
4 / 8ASP A2031
SER A2080
LEU A1437
ASP A1435
None
1.04A2.96
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.
3M0W_E_P77E203_1
(PROTEIN S100-A4)
4wkr LA-RELATED PROTEIN 7
(Homo
sapiens)
4 / 8ASP A  66
SER A  64
LEU A 102
ASP A 103
None
0.74A19.71
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.
3M0W_E_P77E203_1
(PROTEIN S100-A4)
5fbh EXTRACELLULAR
CALCIUM-SENSING
RECEPTOR
(Homo
sapiens)
4 / 8SER B 170
SER B 296
LEU B 276
ASP B 275
TCR  B 609 (-2.8A)
None
None
None
0.86A9.68
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.
3M0W_E_P77E203_1
(PROTEIN S100-A4)
5i2c GATS-LIKE PROTEIN 3
(Homo
sapiens)
4 / 8SER A 208
PHE A 228
CYH A 185
PHE A 184
None
0.94A14.89
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.
3M0W_E_P77E203_1
(PROTEIN S100-A4)
5vbb RNA PSEUDOURIDYLATE
SYNTHASE
DOMAIN-CONTAINING
PROTEIN 1
(Homo
sapiens)
4 / 8ASP A  17
SER A  15
CYH A  89
ASP A 218
None
0.97A14.56
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.
3M0W_E_P77E203_1
(PROTEIN S100-A4)
5w2m DNA DC->DU-EDITING
ENZYME APOBEC-3F
(Homo
sapiens)
4 / 8PHE A 336
PHE A 302
LEU A 364
ASP A 365
None
0.95A26.67
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.
3M0W_E_P77E203_1
(PROTEIN S100-A4)
5x49 PROBABLE XAA-PRO
AMINOPEPTIDASE 3
(Homo
sapiens)
4 / 8ASP A 477
PHE A 266
CYH A 290
LEU A 298
None
0.93A13.77
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.
3M0W_E_P77E203_1
(PROTEIN S100-A4)
5xtc NADH DEHYDROGENASE
[UBIQUINONE] 1 ALPHA
SUBCOMPLEX SUBUNIT
11
(Homo
sapiens)
4 / 8ASP V  11
SER V  24
CYH V  75
ASP V  17
None
0.92A19.31
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.
3M0W_E_P77E203_1
(PROTEIN S100-A4)
5y3r X-RAY REPAIR
CROSS-COMPLEMENTING
PROTEIN 5
(Homo
sapiens)
4 / 8ASP B  72
SER B 145
LEU B 111
ASP B 109
None
0.91A11.45
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.
3M0W_F_P77F203_1
(PROTEIN S100-A4)
3t5o COMPLEMENT COMPONENT
C6
(Homo
sapiens)
5 / 9LEU A 229
ASP A 228
ILE A 295
ASP A 463
SER A 266
None
1.43A8.29
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.
3M0W_F_P77F203_1
(PROTEIN S100-A4)
5fbh EXTRACELLULAR
CALCIUM-SENSING
RECEPTOR
(Homo
sapiens)
5 / 9LEU B 276
ASP B 275
SER B 296
ILE B 305
SER B 170
None
None
None
None
TCR  B 609 (-2.8A)
1.27A9.68
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.
3M0W_F_P77F203_1
(PROTEIN S100-A4)
5v07 EXONUCLEASE 1
(Homo
sapiens)
5 / 9ASP Z 171
ILE Z 195
PHE Z 177
PHE Z 215
SER Z 222
MN  Z 401 (-2.7A)
None
None
None
None
1.20A14.16
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.
3M0W_G_P77G203_1
(PROTEIN S100-A4)
5w4x UDP-GLUCOSE
6-DEHYDROGENASE
(Homo
sapiens)
5 / 9SER A 316
PHE A 314
ILE A 353
LEU A 357
ASP A 359
None
1.46A12.33
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.
3M0W_H_P77H203_1
(PROTEIN S100-A4)
2c4k PHOSPHORIBOSYL
PYROPHOSPHATE
SYNTHETASE-ASSOCIATE
D PROTEIN 1
(Homo
sapiens)
5 / 10LEU A 151
SER A 154
PHE A 156
ILE A 331
SER A 186
None
1.15A14.01
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.
3M0W_H_P77H203_1
(PROTEIN S100-A4)
2hi4 CYTOCHROME P450 1A2
(Homo
sapiens)
5 / 10LEU A 368
SER A 329
ILE A 343
PHE A 427
SER A 379
None
1.25A11.45
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.
3M0W_H_P77H203_1
(PROTEIN S100-A4)
2hi4 CYTOCHROME P450 1A2
(Homo
sapiens)
5 / 10LEU A 368
SER A 329
ILE A 343
PHE A 432
PHE A 427
None
1.46A11.45
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.
3M0W_H_P77H203_1
(PROTEIN S100-A4)
2ji4 PHOSPHORIBOSYL
PYROPHOSPHATE
SYNTHETASE-ASSOCIATE
D PROTEIN 2
(Homo
sapiens)
5 / 10LEU A 163
SER A 166
PHE A 168
ILE A 344
SER A 198
None
CL  A1369 (-3.8A)
None
None
None
1.18A15.34
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.
3M0W_H_P77H203_1
(PROTEIN S100-A4)
2oxc PROBABLE
ATP-DEPENDENT RNA
HELICASE DDX20
(Homo
sapiens)
5 / 10LEU A 121
ASP A 122
PHE A  82
ILE A 153
PHE A  64
None
None
ADP  A 300 (-4.4A)
None
None
1.31A20.69
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.
3M0W_H_P77H203_1
(PROTEIN S100-A4)
3ojb GALECTIN-8
(Homo
sapiens)
5 / 10LEU A  42
ASP A  41
ILE A  95
PHE A  63
SER A  37
None
1.49A19.86
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.
3M0W_H_P77H203_1
(PROTEIN S100-A4)
4ole NEXT TO BRCA1 GENE 1
PROTEIN
(Homo
sapiens)
5 / 10LEU A 380
ILE A 476
CYH A 474
ASP A 428
SER A 423
None
1.48A18.80
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.
3M0W_H_P77H203_1
(PROTEIN S100-A4)
5fbh EXTRACELLULAR
CALCIUM-SENSING
RECEPTOR
(Homo
sapiens)
5 / 10LEU B 276
ASP B 275
SER B 296
ILE B 305
SER B 170
None
None
None
None
TCR  B 609 (-2.8A)
1.35A9.68
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.
3M0W_H_P77H203_1
(PROTEIN S100-A4)
5w4x UDP-GLUCOSE
6-DEHYDROGENASE
(Homo
sapiens)
5 / 10LEU A 357
ASP A 359
SER A 316
PHE A 314
ILE A 353
None
1.41A12.33
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.
3M0W_H_P77H203_1
(PROTEIN S100-A4)
5y3r X-RAY REPAIR
CROSS-COMPLEMENTING
PROTEIN 5
(Homo
sapiens)
5 / 10LEU B 111
ASP B 109
SER B 145
ILE B 150
ASP B  72
None
1.12A11.45
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.
3M0W_I_P77I203_1
(PROTEIN S100-A4)
2c4k PHOSPHORIBOSYL
PYROPHOSPHATE
SYNTHETASE-ASSOCIATE
D PROTEIN 1
(Homo
sapiens)
5 / 10LEU A 151
SER A 154
PHE A 156
ILE A 331
SER A 186
None
1.14A14.01
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.
3M0W_I_P77I203_1
(PROTEIN S100-A4)
2ji4 PHOSPHORIBOSYL
PYROPHOSPHATE
SYNTHETASE-ASSOCIATE
D PROTEIN 2
(Homo
sapiens)
5 / 10LEU A 163
SER A 166
PHE A 168
ILE A 344
SER A 198
None
CL  A1369 (-3.8A)
None
None
None
1.15A15.34
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.
3M0W_I_P77I203_1
(PROTEIN S100-A4)
3t5o COMPLEMENT COMPONENT
C6
(Homo
sapiens)
5 / 10LEU A 229
ASP A 228
ILE A 295
ASP A 463
SER A 266
None
1.45A8.29
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.
3M0W_I_P77I203_1
(PROTEIN S100-A4)
4ole NEXT TO BRCA1 GENE 1
PROTEIN
(Homo
sapiens)
5 / 10LEU A 380
ILE A 476
CYH A 474
ASP A 428
SER A 423
None
1.47A18.80
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.
3M0W_I_P77I203_1
(PROTEIN S100-A4)
5fbh EXTRACELLULAR
CALCIUM-SENSING
RECEPTOR
(Homo
sapiens)
5 / 10LEU B 276
ASP B 275
SER B 296
ILE B 305
SER B 170
None
None
None
None
TCR  B 609 (-2.8A)
1.33A9.68
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.
3M0W_I_P77I203_1
(PROTEIN S100-A4)
5w4x UDP-GLUCOSE
6-DEHYDROGENASE
(Homo
sapiens)
5 / 10LEU A 357
ASP A 359
SER A 316
PHE A 314
ILE A 353
None
1.43A12.33
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.
3M0W_I_P77I203_1
(PROTEIN S100-A4)
5y3r X-RAY REPAIR
CROSS-COMPLEMENTING
PROTEIN 5
(Homo
sapiens)
5 / 10LEU B 111
ASP B 109
SER B 145
ILE B 150
ASP B  72
None
1.13A11.45