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.
1I2W_A_CFXA1300_2
(BETA-LACTAMASE)		1fbv SIGNAL TRANSDUCTION
PROTEIN CBL
(Homo
sapiens)		4 / 5TYR A  83
PRO A  89
THR A 152
ARG A 148
None
1.15A21.76
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.
1I2W_A_CFXA1300_2
(BETA-LACTAMASE)		1ic8 HEPATOCYTE NUCLEAR
FACTOR 1-ALPHA
(Homo
sapiens)		4 / 5PRO A 129
LEU A 123
THR A 164
ARG A 168
None
1.39A21.74
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.
1I2W_A_CFXA1300_2
(BETA-LACTAMASE)		1svc PROTEIN (NUCLEAR
FACTOR KAPPA-B
(NF-KB))
(Homo
sapiens)		4 / 5TYR P 166
PRO P 234
LEU P  45
THR P 127
None
1.36A20.80
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.
1I2W_A_CFXA1300_2
(BETA-LACTAMASE)		1w45 ANNEXIN A8
(Homo
sapiens)		4 / 5TYR A 257
LEU A 288
THR A 275
ARG A 278
None
1.21A24.59
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.
1I2W_A_CFXA1300_2
(BETA-LACTAMASE)		4hjj ANTI-IL12 ANTI-IL18
DFAB LIGHT CHAIN
(Homo
sapiens)		4 / 5TYR L 254
PRO L 128
LEU L 191
THR L 123
None
1.31A23.88
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.
1I2W_A_CFXA1300_2
(BETA-LACTAMASE)		5do7 ATP-BINDING CASSETTE
SUB-FAMILY G MEMBER
5
(Homo
sapiens)		4 / 5TYR A 628
PRO A 632
LEU A 634
THR A 430
None
1.27A18.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1YMX_A_CFXA1001_2
(BETA-LACTAMASE
CTX-M-9)		5ikr PROSTAGLANDIN G/H
SYNTHASE 2
(Homo
sapiens)		4 / 5TYR A 373
PRO A 127
THR A 118
SER A 121
None
1.45A17.77
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.
1YMX_A_CFXA1001_2
(BETA-LACTAMASE
CTX-M-9)		5m23 WD REPEAT-CONTAINING
PROTEIN 5
(Homo
sapiens)		4 / 5CYH A 195
TYR A 191
PRO A 215
SER A 189
None
1.38A21.41
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.
1YMX_B_CFXB1002_2
(BETA-LACTAMASE
CTX-M-9)		1fbv SIGNAL TRANSDUCTION
PROTEIN CBL
(Homo
sapiens)		4 / 5TYR A  83
PRO A  89
THR A 273
THR A 152
None
1.12A21.39
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.
1YMX_B_CFXB1002_2
(BETA-LACTAMASE
CTX-M-9)		2d7i POLYPEPTIDE
N-ACETYLGALACTOSAMIN
YLTRANSFERASE 10
(Homo
sapiens)		4 / 5CYH A 263
PRO A 364
THR A 147
THR A 234
None
1.39A19.30
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.
1YMX_B_CFXB1002_2
(BETA-LACTAMASE
CTX-M-9)		5nqa POLYPEPTIDE
N-ACETYLGALACTOSAMIN
YLTRANSFERASE 4
(Homo
sapiens)		4 / 5CYH A 253
PRO A 303
THR A 137
THR A 224
None
1.23A17.62
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.
1YMX_B_CFXB1002_2
(BETA-LACTAMASE
CTX-M-9)		5nqa POLYPEPTIDE
N-ACETYLGALACTOSAMIN
YLTRANSFERASE 4
(Homo
sapiens)		4 / 5CYH A 253
PRO A 356
THR A 137
THR A 224
None
1.29A17.62
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.
3MZE_A_CFXA364_2
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACA)		1ey2 HOMOGENTISATE
1,2-DIOXYGENASE
(Homo
sapiens)		3 / 3SER A 340
SER A 366
HIS A 335
None
None
FE2  A1001 (-3.4A)
0.85A22.87
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.
3MZE_A_CFXA364_2
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACA)		1wig KIAA1808 PROTEIN
(Homo
sapiens)		3 / 3SER A   5
SER A   6
HIS A  28
None
None
ZN  A 201 (-3.2A)
0.85A14.34
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.
3MZE_A_CFXA364_2
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACA)		2ixm SERINE/THREONINE-PRO
TEIN PHOSPHATASE 2A
REGULATORY SUBUNIT
B'
(Homo
sapiens)		3 / 3SER A 224
SER A 225
HIS A 230
None
0.75A23.02
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.
3MZE_A_CFXA364_2
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACA)		2wx3 MRNA-DECAPPING
ENZYME 1A
(Homo
sapiens)		3 / 3SER A 559
SER A 560
HIS A 566
None
0.71A11.65
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.
3MZE_A_CFXA364_2
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACA)		3al5 JMJC
DOMAIN-CONTAINING
PROTEIN C2ORF60
(Homo
sapiens)		3 / 3SER A 151
SER A 152
HIS A  61
None
0.84A22.72
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.
3MZE_A_CFXA364_2
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACA)		3e0j DNA POLYMERASE
SUBUNIT DELTA-2
(Homo
sapiens)		3 / 3SER A 356
SER A 357
HIS A 128
None
0.64A21.50
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.
3MZE_A_CFXA364_2
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACA)		3e77 PHOSPHOSERINE
AMINOTRANSFERASE
(Homo
sapiens)		3 / 3SER A 238
SER A 237
HIS A  44
None
0.69A21.60
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.
3MZE_A_CFXA364_2
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACA)		3f1r FIBROBLAST GROWTH
FACTOR 20
(Homo
sapiens)		3 / 3SER A 152
SER A 153
HIS A 158
None
0.85A20.51
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.
3MZE_A_CFXA364_2
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACA)		3p1i EPHRIN TYPE-B
RECEPTOR 3
(Homo
sapiens)		3 / 3SER A 146
SER A 145
HIS A  57
None
0.60A20.66
Potential target for repurposing, i.e. matched protein structure has less than 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_2
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACA)		3sog AMPHIPHYSIN
(Homo
sapiens)		3 / 3SER A 210
SER A 211
HIS A 217
None
0.66A19.83
Potential target for repurposing, i.e. matched protein structure has less than 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_2
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACA)		3t5o COMPLEMENT COMPONENT
C6
(Homo
sapiens)		3 / 3SER A 265
SER A 266
HIS A 343
None
0.63A16.65
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.
3MZE_A_CFXA364_2
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACA)		4b3g DNA-BINDING PROTEIN
SMUBP-2
(Homo
sapiens)		3 / 3SER A 180
SER A 205
HIS A 183
None
0.79A20.89
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.
3MZE_A_CFXA364_2
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACA)		4d9r COMPLEMENT FACTOR D
(Homo
sapiens)		3 / 3SER A 154
SER A  72
HIS A  40
None
0.81A20.29
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.
3MZE_A_CFXA364_2
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACA)		4n3y RAB GTPASE-BINDING
EFFECTOR PROTEIN 1
(Homo
sapiens)		3 / 3SER B 588
SER B 589
HIS B 594
None
0.79A14.10
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.
3MZE_A_CFXA364_2
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACA)		4wgk NEUTRAL CERAMIDASE
(Homo
sapiens)		3 / 3SER A 348
SER A 570
HIS A 194
None
None
ZN  A 801 ( 3.3A)
0.83A20.94
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.
3MZE_A_CFXA364_2
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACA)		5lt1 KINESIN-LIKE PROTEIN
(Homo
sapiens)		3 / 3SER A  89
SER A  88
HIS A  93
SO4  A 401 (-3.4A)
SO4  A 401 (-4.6A)
None
0.81A24.07
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.
3MZE_A_CFXA364_2
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACA)		5myv SRSF PROTEIN KINASE
2,SRSF PROTEIN
KINASE 2
(Homo
sapiens)		3 / 3SER A 599
SER A 604
HIS A 612
SO4  A 705 (-3.0A)
None
None
0.62A20.90
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.
3MZE_A_CFXA364_2
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACA)		5nfn JMJC
DOMAIN-CONTAINING
PROTEIN 7
(Homo
sapiens)		3 / 3SER A 254
SER A 252
HIS A 198
None
0.85A11.79
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.
3MZE_A_CFXA364_2
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACA)		5o2d POLY [ADP-RIBOSE]
POLYMERASE 14
(Homo
sapiens)		3 / 3SER A1048
SER A1042
HIS A1091
None
0.85A18.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KOW_A_CFXA204_1
(UNCHARACTERIZED
PROTEIN)		2jam CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE TYPE 1G
(Homo
sapiens)		5 / 12PHE A 300
PRO A 147
ASN A 149
PHE A 107
LEU A 213
None
1.44A20.41
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.
4KOW_A_CFXA204_1
(UNCHARACTERIZED
PROTEIN)		2l3d LYSINE-SPECIFIC
HISTONE DEMETHYLASE
1A
(Homo
sapiens)		5 / 12PHE A  25
GLY A  31
PHE A  39
ARG A  80
LEU A  77
None
1.41A20.25
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.
4KOW_A_CFXA204_1
(UNCHARACTERIZED
PROTEIN)		5fn4 NICASTRIN
(Homo
sapiens)		5 / 12ARG A 117
TYR A  94
GLY A  89
PHE A 210
LEU A 212
None
1.03A12.72
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.
4KOW_A_CFXA204_1
(UNCHARACTERIZED
PROTEIN)		5van BETA-KLOTHO
(Homo
sapiens)		5 / 12PHE A 379
ASN A 438
MET A 436
PHE A 374
TYR A 457
None
1.11A16.05
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.
4KOW_A_CFXA204_1
(UNCHARACTERIZED
PROTEIN)		6bq1 PHOSPHATIDYLINOSITOL
4-KINASE III ALPHA
(PI4KA)
(Homo
sapiens)		5 / 12PHE A1737
GLY A1894
SER A1778
PHE A1738
LEU A1776
None
1.45A0.00