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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5V0V_A_8QPA612_1
(SERUM ALBUMIN)		1tf0 SERUM ALBUMIN
(Homo
sapiens)		5 / 12ARG A 257
LEU A 260
ILE A 290
ALA A 291
GLU A 292
DKA  A1003 (-4.1A)
None
DKA  A1003 ( 4.5A)
CIT  A2001 ( 3.9A)
None
1.08A76.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5V0V_A_8QPA612_1
(SERUM ALBUMIN)		1tf0 SERUM ALBUMIN
(Homo
sapiens)		5 / 12HIS A 242
LEU A 260
ILE A 290
ALA A 291
GLU A 292
DKA  A1003 (-3.7A)
None
DKA  A1003 ( 4.5A)
CIT  A2001 ( 3.9A)
None
0.96A76.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5V0V_A_8QPA612_1
(SERUM ALBUMIN)		1tf0 SERUM ALBUMIN
(Homo
sapiens)		6 / 12LEU A 219
LEU A 238
ARG A 257
LEU A 260
ILE A 290
ALA A 291
None
DKA  A1003 (-4.3A)
DKA  A1003 (-4.1A)
None
DKA  A1003 ( 4.5A)
CIT  A2001 ( 3.9A)
0.57A76.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5V0V_A_8QPA612_1
(SERUM ALBUMIN)		1tf0 SERUM ALBUMIN
(Homo
sapiens)		6 / 12LEU A 219
LEU A 238
HIS A 242
LEU A 260
ILE A 290
ALA A 291
None
DKA  A1003 (-4.3A)
DKA  A1003 (-3.7A)
None
DKA  A1003 ( 4.5A)
CIT  A2001 ( 3.9A)
0.60A76.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5V0V_A_8QPA612_1
(SERUM ALBUMIN)		1tf0 SERUM ALBUMIN
(Homo
sapiens)		5 / 12LYS A 195
LEU A 219
LEU A 238
ARG A 257
LEU A 260
CIT  A2001 (-4.1A)
None
DKA  A1003 (-4.3A)
DKA  A1003 (-4.1A)
None
0.90A76.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5V0V_A_8QPA612_1
(SERUM ALBUMIN)		1tf0 SERUM ALBUMIN
(Homo
sapiens)		5 / 12LYS A 195
LEU A 219
LEU A 238
HIS A 242
LEU A 260
CIT  A2001 (-4.1A)
None
DKA  A1003 (-4.3A)
DKA  A1003 (-3.7A)
None
1.03A76.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5V0V_A_8QPA612_1
(SERUM ALBUMIN)		1tf0 SERUM ALBUMIN
(Homo
sapiens)		5 / 12LYS A 199
LEU A 219
LEU A 238
HIS A 242
LEU A 260
CIT  A2001 ( 2.7A)
None
DKA  A1003 (-4.3A)
DKA  A1003 (-3.7A)
None
1.10A76.57
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.
5V0V_A_8QPA612_1
(SERUM ALBUMIN)		1zzp PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1
(Homo
sapiens)		5 / 12GLU A  65
LEU A  97
LEU A 101
LEU A 104
ILE A  50
None
1.21A11.78
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.
5V0V_A_8QPA612_1
(SERUM ALBUMIN)		2a9j BISPHOSPHOGLYCERATE
MUTASE
(Homo
sapiens)		5 / 12LEU A 222
LEU A 199
LEU A 195
ILE A 173
ALA A 174
None
1.15A20.30
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.
5V0V_A_8QPA612_1
(SERUM ALBUMIN)		2mb9 B-CELL
LYMPHOMA/LEUKEMIA 10
(Homo
sapiens)		5 / 12LEU A  72
LEU A  82
LEU A  41
ILE A  55
ALA A  65
None
1.16A12.86
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.
5V0V_A_8QPA612_1
(SERUM ALBUMIN)		4ks8 SERINE/THREONINE-PRO
TEIN KINASE PAK 6
(Homo
sapiens)		5 / 12GLU A 508
LEU A 498
LEU A 667
LEU A 534
ILE A 532
None
1.13A19.12
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.
5V0V_A_8QPA612_1
(SERUM ALBUMIN)		4x4w CCA TRNA
NUCLEOTIDYLTRANSFERA
SE 1, MITOCHONDRIAL
(Homo
sapiens)		5 / 12LEU A  33
LEU A  22
LEU A  19
ILE A  52
GLU A  95
None
1.15A20.44
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.
5V0V_A_8QPA612_1
(SERUM ALBUMIN)		4xny HEAVY CHAIN OF
ANTIBODY VRC08C
(Homo
sapiens)		6 / 12GLU H  46
LEU H  82
LEU H  82
LEU H  20
ALA H  88
GLU H  40
None
1.31A16.96
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.
5V0V_A_8QPA612_1
(SERUM ALBUMIN)		5o2d POLY [ADP-RIBOSE]
POLYMERASE 14
(Homo
sapiens)		5 / 12GLU A1177
LEU A1018
LEU A1171
ILE A1148
ALA A1145
None
None
9HH  A1201 (-4.7A)
9HH  A1201 ( 3.5A)
None
0.96A15.82
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.
5V0V_A_8QPA612_1
(SERUM ALBUMIN)		5w2f EUKARYOTIC
TRANSLATION
INITIATION FACTOR 2D
(Homo
sapiens)		5 / 12LYS A 467
GLU A 466
LEU A 435
LEU A 455
GLU A 445
None
0.99A18.65
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.
5V0V_A_8QPA613_1
(SERUM ALBUMIN)		1b41 ACETYLCHOLINESTERASE
(Homo
sapiens)		4 / 8ALA A 237
VAL A 300
SER A 298
GLY A 122
None
0.99A21.07
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.
5V0V_A_8QPA613_1
(SERUM ALBUMIN)		1fq3 GRANZYME B
(Homo
sapiens)		4 / 8ALA A 139
VAL A 138
THR A 189
GLY A 197
None
0.98A15.22
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.
5V0V_A_8QPA613_1
(SERUM ALBUMIN)		1jj7 PEPTIDE TRANSPORTER
TAP1
(Homo
sapiens)		4 / 8ARG A 515
SER A 509
THR A 558
GLY A 718
ADP  A 752 (-4.0A)
None
None
None
0.95A17.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5V0V_A_8QPA613_1
(SERUM ALBUMIN)		1tf0 SERUM ALBUMIN
(Homo
sapiens)		7 / 8ARG A 209
ALA A 213
VAL A 216
PHE A 228
SER A 232
THR A 236
GLY A 328
DKA  A1001 ( 4.6A)
DKA  A1001 ( 4.0A)
None
DKA  A1001 (-4.4A)
DKA  A1001 (-3.5A)
None
DKA  A1001 ( 4.1A)
0.93A76.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5V0V_A_8QPA613_1
(SERUM ALBUMIN)		1tf0 SERUM ALBUMIN
(Homo
sapiens)		7 / 8LYS A 212
ALA A 213
VAL A 216
PHE A 228
SER A 232
THR A 236
GLY A 328
None
DKA  A1001 ( 4.0A)
None
DKA  A1001 (-4.4A)
DKA  A1001 (-3.5A)
None
DKA  A1001 ( 4.1A)
0.50A76.57
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.
5V0V_A_8QPA613_1
(SERUM ALBUMIN)		1wuu GALACTOKINASE
(Homo
sapiens)		4 / 8ALA A 143
SER A  33
THR A 151
GLY A  36
None
0.96A21.16
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.
5V0V_A_8QPA613_1
(SERUM ALBUMIN)		2j3t TRAFFICKING PROTEIN
PARTICLE COMPLEX
SUBUNIT 1
TRAFFICKING PROTEIN
PARTICLE COMPLEX
SUBUNIT 4
(Homo
sapiens;
Mus
musculus)		4 / 8ARG C  23
PHE C  64
THR C  86
GLY D 122
None
1.01A14.72
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.
5V0V_A_8QPA613_1
(SERUM ALBUMIN)		2om5 CONTACTIN 2
(Homo
sapiens)		4 / 8VAL A 238
PHE A 232
THR A 167
GLY A 151
None
1.02A21.31
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.
5V0V_A_8QPA613_1
(SERUM ALBUMIN)		2yd7 PTPRD PROTEIN
(Homo
sapiens)		4 / 8ARG A 179
ALA A 203
SER A 206
GLY A 151
None
0.91A16.30
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.
5V0V_A_8QPA613_1
(SERUM ALBUMIN)		2yuf NGFI-A-BINDING
PROTEIN 1
(Homo
sapiens)		4 / 8ALA A  15
VAL A  18
SER A 124
THR A 128
None
0.85A14.16
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.
5V0V_A_8QPA613_1
(SERUM ALBUMIN)		3b97 ALPHA-ENOLASE
(Homo
sapiens)		4 / 8LYS A 119
ALA A 120
VAL A 123
GLY A  28
None
0.88A23.14
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.
5V0V_A_8QPA613_1
(SERUM ALBUMIN)		3btz ALPHA-KETOGLUTARATE-
DEPENDENT
DIOXYGENASE ALKB
HOMOLOG 2
(Homo
sapiens)		4 / 8ALA A 185
VAL A 187
PHE A  73
THR A  70
None
0.94A15.78
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.
5V0V_A_8QPA613_1
(SERUM ALBUMIN)		3jbk METAVINCULIN
(Homo
sapiens)		4 / 8ALA M1003
SER M1016
THR M1020
GLY M1007
None
0.96A18.86