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.
3ARQ_A_DM5A606_1
(CHITINASE A)		1hkk CHITOTRIOSIDASE-1
(Homo
sapiens)		4 / 6TRP A  99
ASP A 213
TRP A 218
ARG A 269
NAA  A1390 ( 4.3A)
AMI  A1388 ( 2.9A)
NAA  A1390 (-3.2A)
NAA  A1389 (-3.2A)
0.42A25.55
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.
3ARQ_A_DM5A606_1
(CHITINASE A)		3pq1 POLY(A) RNA
POLYMERASE
(Homo
sapiens)		4 / 6LYS A 400
ASP A 347
TYR A 343
ARG A 349
None
1.49A20.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LB2_A_DM5A601_1
(SERUM ALBUMIN)		1tf0 SERUM ALBUMIN
(Homo
sapiens)		4 / 7LEU A 115
VAL A 116
TYR A 138
GLU A 141
None
0.70A100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LB2_A_DM5A601_1
(SERUM ALBUMIN)		1tf0 SERUM ALBUMIN
(Homo
sapiens)		4 / 7VAL A 116
PRO A 118
TYR A 138
GLU A 141
None
0.78A100.00
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.
4LB2_A_DM5A601_1
(SERUM ALBUMIN)		2nz2 ARGININOSUCCINATE
SYNTHASE
(Homo
sapiens)		4 / 7VAL A 233
PRO A 232
TYR A 253
GLU A 249
None
1.05A22.94
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.
4LB2_A_DM5A601_1
(SERUM ALBUMIN)		2vr2 DIHYDROPYRIMIDINASE
(Homo
sapiens)		4 / 7LEU A  58
VAL A  59
PRO A  61
GLU A 371
None
1.03A22.33
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.
4LB2_A_DM5A601_1
(SERUM ALBUMIN)		3f70 LETHAL(3)MALIGNANT
BRAIN TUMOR-LIKE 2
PROTEIN
(Homo
sapiens)		4 / 7LEU A 280
VAL A 281
PRO A 283
GLU A 217
None
0.86A21.10
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.
4LB2_A_DM5A601_1
(SERUM ALBUMIN)		3feo MBT
DOMAIN-CONTAINING
PROTEIN 1
(Homo
sapiens)		4 / 7LEU A 113
VAL A 114
PRO A 116
GLU A  50
None
0.98A20.73
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.
4LB2_A_DM5A601_1
(SERUM ALBUMIN)		3ps5 TYROSINE-PROTEIN
PHOSPHATASE
NON-RECEPTOR TYPE 6
(Homo
sapiens)		4 / 7LEU A 230
VAL A 227
TYR A 214
GLU A 247
None
1.03A23.59
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.
4LB2_A_DM5A601_1
(SERUM ALBUMIN)		3ud2 ANKYRIN-1
(Homo
sapiens)		4 / 7LEU C1121
VAL C1118
PRO C1114
GLU C1232
None
1.05A19.49
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.
4LB2_A_DM5A601_1
(SERUM ALBUMIN)		4b90 DIHYDROPYRIMIDINASE-
RELATED PROTEIN 5
(Homo
sapiens)		4 / 7LEU A  57
VAL A  58
PRO A  60
GLU A 370
None
0.99A22.58
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.
4LB2_A_DM5A601_1
(SERUM ALBUMIN)		4b92 DIHYDROPYRIMIDINASE-
RELATED PROTEIN 5
(Homo
sapiens)		4 / 7LEU A  57
VAL A  58
PRO A  60
GLU A 370
None
1.00A22.39
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.
4LB2_A_DM5A601_1
(SERUM ALBUMIN)		4rwa SOLUBLE CYTOCHROME
B562,DELTA-TYPE
OPIOID RECEPTOR
(Escherichia
coli;
Homo
sapiens)		4 / 7VAL A 196
PRO A 115
TYR A 109
GLU A 112
None
1.10A21.94
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.
4LB2_A_DM5A601_1
(SERUM ALBUMIN)		5xcu VH(S112C)-SARAH
CHIMERA,VH(S112C)-SA
RAH CHIMERA
VL-SARAH(S37C)
CHIMERA,VL-SARAH(S37
C) CHIMERA
(Homo
sapiens;
Mus
musculus)		4 / 7LEU A  11
VAL A  12
PRO A  14
LYS B 148
None
1.10A14.48
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.
4LB2_A_DM5A601_1
(SERUM ALBUMIN)		5xcv VH(S112C)-SARAH
CHIMERA,VH(S112C)-SA
RAH CHIMERA
VL-SARAH(S37C)
CHIMERA,VL-SARAH(S37
C) CHIMERA
(Homo
sapiens;
Rattus)		4 / 7LEU A  11
VAL A  12
PRO A  14
LYS B 148
None
1.04A13.79
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.
4LB2_A_DM5A601_1
(SERUM ALBUMIN)		5xdr PRE-MRNA-SPLICING
FACTOR ATP-DEPENDENT
RNA HELICASE DHX15
(Homo
sapiens)		4 / 7LEU A 158
VAL A 157
PRO A 308
TYR A 142
None
1.07A22.75
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.
4LB2_A_DM5A601_1
(SERUM ALBUMIN)		6ch7 BG18 LIGHT CHAIN
(Homo
sapiens)		4 / 7LEU R 136
VAL R 137
PRO R 123
LYS R 190
None
0.96A8.24
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.
4LB2_A_DM5A602_1
(SERUM ALBUMIN)		1rx0 ACYL-COA
DEHYDROGENASE FAMILY
MEMBER 8,
MITOCHONDRIAL
(Homo
sapiens)		4 / 7PRO A  52
VAL A  55
MET A  56
ALA A  59
None
1.15A19.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LB2_A_DM5A602_1
(SERUM ALBUMIN)		1tf0 SERUM ALBUMIN
(Homo
sapiens)		5 / 7PRO A 118
VAL A 122
ALA A 126
PHE A 134
TYR A 138
None
1.05A100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LB2_A_DM5A602_1
(SERUM ALBUMIN)		1tf0 SERUM ALBUMIN
(Homo
sapiens)		5 / 7PRO A 118
VAL A 122
MET A 123
ALA A 126
PHE A 134
None
0.38A100.00
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.
4LB2_A_DM5A602_1
(SERUM ALBUMIN)		2w9z G1/S-SPECIFIC
CYCLIN-D1
(Homo
sapiens)		4 / 7PRO A 157
VAL A 186
ALA A 190
TYR A  84
None
1.07A18.08
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.
4LB2_A_DM5A602_1
(SERUM ALBUMIN)		5nfn JMJC
DOMAIN-CONTAINING
PROTEIN 7
(Homo
sapiens)		4 / 7PRO A 199
VAL A  25
ALA A  20
PHE A  16
None
1.08A9.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LB2_B_DM5B601_1
(SERUM ALBUMIN)		1tf0 SERUM ALBUMIN
(Homo
sapiens)		5 / 9LEU A 115
VAL A 116
TYR A 138
GLU A 141
ILE A 142
None
0.68A100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LB2_B_DM5B601_1
(SERUM ALBUMIN)		1tf0 SERUM ALBUMIN
(Homo
sapiens)		5 / 9VAL A 116
PRO A 118
TYR A 138
ILE A 142
TYR A 161
None
1.07A100.00
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.
4LB2_B_DM5B601_1
(SERUM ALBUMIN)		2gsb RAS
GTPASE-ACTIVATING
PROTEIN 1
(Homo
sapiens)		5 / 9LEU A  42
VAL A  43
PRO A  45
TYR A  29
ILE A  63
None
1.22A9.76
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.
4LB2_B_DM5B601_1
(SERUM ALBUMIN)		4wk4 INTEGRIN ALPHA-5
(Homo
sapiens)		5 / 9LEU A 302
VAL A 326
PRO A 338
TYR A 274
ILE A 264
None
1.37A20.19
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.
4LB2_B_DM5B601_1
(SERUM ALBUMIN)		5xdr PRE-MRNA-SPLICING
FACTOR ATP-DEPENDENT
RNA HELICASE DHX15
(Homo
sapiens)		5 / 9LEU A 158
VAL A 157
PRO A 308
TYR A 142
ILE A 312
None
1.24A22.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LB2_B_DM5B602_1
(SERUM ALBUMIN)		1tf0 SERUM ALBUMIN
(Homo
sapiens)		5 / 9PRO A 118
VAL A 122
ALA A 126
PHE A 134
TYR A 138
None
1.04A100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LB2_B_DM5B602_1
(SERUM ALBUMIN)		1tf0 SERUM ALBUMIN
(Homo
sapiens)		7 / 9PRO A 118
VAL A 122
MET A 123
ALA A 126
PHE A 134
TYR A 138
PHE A 165
None
0.53A100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LB2_B_DM5B602_1
(SERUM ALBUMIN)		1tf0 SERUM ALBUMIN
(Homo
sapiens)		5 / 9VAL A 122
ALA A 126
PHE A 134
LYS A 137
PHE A 165
None
1.23A100.00