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.
5DQF_A_CZEA613_1
(SERUM ALBUMIN)
1pl0 BIFUNCTIONAL PURINE
BIOSYNTHESIS PROTEIN
PURH
(Homo
sapiens)
5 / 9ARG A  22
ALA A  21
GLY A  16
LEU A  17
LEU A  41
None
0.77A25.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5DQF_A_CZEA613_1
(SERUM ALBUMIN)
1tf0 SERUM ALBUMIN
(Homo
sapiens)
8 / 9ALA A 213
ASP A 324
LEU A 327
GLY A 328
LEU A 331
LEU A 347
LYS A 351
GLU A 354
DKA  A1001 ( 4.0A)
DKA  A1001 (-4.7A)
DKA  A1001 (-4.1A)
DKA  A1001 ( 4.1A)
None
DKA  A1002 ( 4.3A)
DKA  A1002 (-2.6A)
DKA  A1002 ( 4.4A)
0.54A76.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5DQF_A_CZEA613_1
(SERUM ALBUMIN)
1tf0 SERUM ALBUMIN
(Homo
sapiens)
5 / 9ARG A 209
ALA A 213
LEU A 331
LEU A 347
LYS A 351
DKA  A1001 ( 4.6A)
DKA  A1001 ( 4.0A)
None
DKA  A1002 ( 4.3A)
DKA  A1002 (-2.6A)
0.98A76.63
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.
5DQF_A_CZEA613_1
(SERUM ALBUMIN)
1u6g TIP120 PROTEIN
(Homo
sapiens)
5 / 9ALA C  68
LEU C  75
GLY C  73
LEU C  72
LEU C  57
None
1.20A20.32
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.
5DQF_A_CZEA613_1
(SERUM ALBUMIN)
4nen INTEGRIN ALPHA-X
(Homo
sapiens)
5 / 9ALA A  88
LEU A  75
GLY A  90
LEU A  73
LEU A  47
None
1.04A19.73
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.
5DQF_A_CZEA613_1
(SERUM ALBUMIN)
4ybh ADVANCED
GLYCOSYLATION END
PRODUCT-SPECIFIC
RECEPTOR
(Homo
sapiens)
5 / 9ARG A  77
ALA A  76
LEU A  79
LEU A  84
LEU A  86
ACT  A 410 (-3.9A)
ACT  A 411 ( 4.0A)
None
None
None
1.23A18.90
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.
5DQF_A_CZEA613_1
(SERUM ALBUMIN)
5a6c G-PROTEIN-SIGNALING
MODULATOR 2, AFADIN
(Homo
sapiens)
5 / 9ASP A 213
LEU A 201
GLY A 202
LEU A 171
GLU A 179
None
1.20A22.03
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.
5DQF_A_CZEA613_1
(SERUM ALBUMIN)
5j68 ASTROTACTIN-2
(Homo
sapiens)
5 / 9ALA A 760
ASP A 720
LEU A 727
LEU A 763
GLU A 725
None
1.15A21.81
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.
5DQF_A_CZEA613_1
(SERUM ALBUMIN)
5loh SERINE/THREONINE-PRO
TEIN KINASE
GREATWALL,SERINE/THR
EONINE-PROTEIN
KINASE GREATWALL
(Homo
sapiens)
5 / 9ALA A 811
LEU A 764
GLY A 765
LEU A 768
LEU A 834
None
1.05A20.17