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.
4OMW_D_TE4D202_1
(BETA-LACTOGLOBULIN)
3ctt MALTASE-GLUCOAMYLASE
(Homo
sapiens)
5 / 9PRO A 367
GLU A 446
ASN A 201
ALA A 216
SER A 527
None
1.48A11.24
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.
4OMW_D_TE4D202_1
(BETA-LACTOGLOBULIN)
3zyj LEUCINE-RICH
REPEAT-CONTAINING
PROTEIN 4C
(Homo
sapiens)
5 / 9ASN A 208
ASN A 229
ALA A 205
GLN A 252
SER A 253
None
1.38A16.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4OMW_D_TE4D202_1
(BETA-LACTOGLOBULIN)
4h1s 5'-NUCLEOTIDASE
(Homo
sapiens)
5 / 9LEU A 191
PRO A 187
ASN A 143
ALA A 199
GLU A 194
None
1.39A15.62
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.
4Y0P_A_TE4A201_1
(BETA-LACTOGLOBULIN)
1fyh INTERFERON GAMMA
RECEPTOR 1
(Homo
sapiens)
5 / 12LEU B 185
ILE B 187
ILE B 124
ILE B 117
VAL B 198
None
0.80A20.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Y0P_A_TE4A201_1
(BETA-LACTOGLOBULIN)
2ro1 TRANSCRIPTION
INTERMEDIARY FACTOR
1-BETA
(Homo
sapiens)
5 / 12LEU A 740
ILE A 743
VAL A 707
LEU A 788
PHE A 792
None
1.24A24.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Y0P_A_TE4A201_1
(BETA-LACTOGLOBULIN)
2ygn WNT INHIBITORY
FACTOR 1
(Homo
sapiens)
5 / 12LEU A  48
VAL A 136
VAL A 134
PHE A  89
MET A  87
PCF  A1179 (-4.1A)
None
PCF  A1179 ( 4.7A)
PCF  A1179 ( 3.8A)
PCF  A1179 (-3.6A)
1.06A18.82
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.
4Y0P_A_TE4A201_1
(BETA-LACTOGLOBULIN)
2ygo WNT INHIBITORY
FACTOR 1
(Homo
sapiens)
5 / 12LEU A  48
VAL A 136
VAL A 134
PHE A  89
MET A  87
PCF  A1213 (-4.3A)
None
PCF  A1213 ( 4.6A)
PCF  A1213 (-4.1A)
PCF  A1213 ( 3.8A)
1.08A17.65
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.
4Y0P_A_TE4A201_1
(BETA-LACTOGLOBULIN)
2z0u WW DOMAIN-CONTAINING
PROTEIN 1
(Homo
sapiens)
5 / 12ILE A  25
ILE A  61
VAL A  63
VAL A  65
LEU A 130
None
1.10A20.90
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.
4Y0P_A_TE4A201_1
(BETA-LACTOGLOBULIN)
2z0u WW DOMAIN-CONTAINING
PROTEIN 1
(Homo
sapiens)
5 / 12ILE A  27
ILE A  61
VAL A  63
VAL A  65
LEU A 130
None
0.82A20.90
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.
4Y0P_A_TE4A201_1
(BETA-LACTOGLOBULIN)
3c5h GLUCOCORTICOID
RECEPTOR DNA-BINDING
FACTOR 1
(Homo
sapiens)
5 / 12LEU A 178
VAL A 181
LEU A  38
ILE A  33
VAL A 226
None
None
None
GNP  A 301 (-4.3A)
None
1.14A20.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Y0P_A_TE4A201_1
(BETA-LACTOGLOBULIN)
3nzu PHOSPHATIDYLINOSITOL
-4,5-BISPHOSPHATE
3-KINASE CATALYTIC
SUBUNIT GAMMA
ISOFORM
(Homo
sapiens)
5 / 12LEU A 987
ILE A 888
ILE A 952
LEU A 911
PHE A 928
None
1.21A9.95
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.
4Y0P_A_TE4A201_1
(BETA-LACTOGLOBULIN)
4gbr BETA-2 ADRENERGIC
RECEPTOR
(Homo
sapiens)
5 / 12LEU A 145
VAL A  67
ILE A 127
VAL A 222
LEU A 244
None
1.22A21.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Y0P_A_TE4A201_1
(BETA-LACTOGLOBULIN)
4lt6 POLY(A) POLYMERASE
GAMMA
(Homo
sapiens)
5 / 12LEU A  61
LEU A 167
ILE A 165
ILE A 113
VAL A  71
None
1.16A15.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Y0P_A_TE4A201_1
(BETA-LACTOGLOBULIN)
4n9f TRANSCRIPTION
ELONGATION FACTOR B
POLYPEPTIDE 2
(Homo
sapiens)
5 / 12LEU X   5
ILE X   7
ILE X  14
VAL X  24
LEU X  51
None
1.15A24.10
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.
4Y0P_A_TE4A201_1
(BETA-LACTOGLOBULIN)
4ov6 PROPROTEIN
CONVERTASE
SUBTILISIN/KEXIN
TYPE 9
(Homo
sapiens)
5 / 12LEU B 230
VAL B 233
LEU B 415
VAL B 312
VAL B 310
None
0.92A19.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4Y0P_A_TE4A201_1
(BETA-LACTOGLOBULIN)
4r0b GLYCODELIN
(Homo
sapiens)
6 / 12LEU A  39
VAL A  41
LEU A  54
ILE A  56
ILE A  84
LEU A 103
None
0.62A41.76
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.
4Y0P_A_TE4A201_1
(BETA-LACTOGLOBULIN)
4rca SLIT AND NTRK-LIKE
PROTEIN 1
(Homo
sapiens)
5 / 12LEU B 252
VAL B 239
ILE B 207
VAL B 197
LEU B 169
None
SO4  B 301 (-3.6A)
None
None
None
1.20A23.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Y0P_A_TE4A201_1
(BETA-LACTOGLOBULIN)
4rca SLIT AND NTRK-LIKE
PROTEIN 1
(Homo
sapiens)
5 / 12VAL B 239
ILE B 207
ILE B 230
VAL B 197
LEU B 169
SO4  B 301 (-3.6A)
None
None
None
None
1.10A23.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Y0P_A_TE4A201_1
(BETA-LACTOGLOBULIN)
4z07 CGMP-DEPENDENT
PROTEIN KINASE 1
(Homo
sapiens)
5 / 12LEU A 187
LEU A  96
ILE A 207
ILE A 130
MET A 216
None
1.20A21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Y0P_A_TE4A201_1
(BETA-LACTOGLOBULIN)
5jn9 CARBONIC ANHYDRASE 4
(Homo
sapiens)
5 / 12LEU A 182
LEU A  95
ILE A 120
VAL A 148
LEU A 218
None
1.02A20.69
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.
4Y0P_A_TE4A201_1
(BETA-LACTOGLOBULIN)
5of4 TFIIH BASAL
TRANSCRIPTION FACTOR
COMPLEX HELICASE XPD
SUBUNIT
(Homo
sapiens)
5 / 12LEU B 597
ILE B 595
ILE B 535
ILE B 619
LEU B 558
None
0.93A12.83
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.
4Y0P_A_TE4A201_1
(BETA-LACTOGLOBULIN)
5tvt MATERNAL EMBRYONIC
LEUCINE ZIPPER
KINASE
(Homo
sapiens)
5 / 12VAL A 192
LEU A 138
VAL A 112
LEU A 202
PHE A 113
None
1.14A18.69