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.
1H9Z_A_RWFA3001_1
(SERUM ALBUMIN)
1s1d APYRASE
(Homo
sapiens)
5 / 11ALA A  38
LEU A 100
LEU A  59
LEU A  84
ALA A  41
None
1.17A18.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1H9Z_A_RWFA3001_1
(SERUM ALBUMIN)
1tf0 SERUM ALBUMIN
(Homo
sapiens)
10 / 11PHE A 211
ALA A 215
LEU A 219
ARG A 222
LEU A 238
HIS A 242
ARG A 257
LEU A 260
SER A 287
ALA A 291
None
None
None
CIT  A2001 ( 2.9A)
DKA  A1003 (-4.3A)
DKA  A1003 (-3.7A)
DKA  A1003 (-4.1A)
None
None
CIT  A2001 ( 3.9A)
0.74A100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1H9Z_A_RWFA3001_1
(SERUM ALBUMIN)
1tf0 SERUM ALBUMIN
(Homo
sapiens)
10 / 11PHE A 211
TRP A 214
ALA A 215
LEU A 219
ARG A 222
HIS A 242
ARG A 257
LEU A 260
SER A 287
ALA A 291
None
None
None
None
CIT  A2001 ( 2.9A)
DKA  A1003 (-3.7A)
DKA  A1003 (-4.1A)
None
None
CIT  A2001 ( 3.9A)
0.83A100.00
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.
1H9Z_A_RWFA3001_1
(SERUM ALBUMIN)
1wwx E74-LIKE FACTOR 5
ESE-2B
(Homo
sapiens)
5 / 11ALA A  68
LEU A  11
LEU A  69
SER A  44
ALA A  48
None
1.11A8.57
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.
1H9Z_A_RWFA3001_1
(SERUM ALBUMIN)
2c2n MALONYL COA-ACYL
CARRIER PROTEIN
TRANSACYLASE
(Homo
sapiens)
5 / 11ALA A 248
LEU A 249
LEU A 245
LEU A 284
SER A 117
None
1.08A21.98
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.
1H9Z_A_RWFA3001_1
(SERUM ALBUMIN)
2jii SERINE/THREONINE-PRO
TEIN KINASE VRK3
MOLECULE: VACCINIA
RELATED KINASE 3
(Homo
sapiens)
5 / 11ALA A 240
LEU A 324
LEU A 290
LEU A 376
ALA A 309
None
1.14A20.40
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.
1H9Z_A_RWFA3001_1
(SERUM ALBUMIN)
2of5 LEUCINE-RICH REPEAT
AND DEATH
DOMAIN-CONTAINING
PROTEIN
(Homo
sapiens)
5 / 11ALA H 856
LEU H 857
LEU H 853
LEU H 787
ALA H 796
None
1.01A11.80
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.
1H9Z_A_RWFA3001_1
(SERUM ALBUMIN)
3pg6 E3 UBIQUITIN-PROTEIN
LIGASE DTX3L
(Homo
sapiens)
5 / 11ALA A 662
LEU A 664
HIS A 707
ARG A 729
SER A 725
None
1.14A12.96
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.
1H9Z_A_RWFA3001_1
(SERUM ALBUMIN)
4ern TFIIH BASAL
TRANSCRIPTION FACTOR
COMPLEX HELICASE XPB
SUBUNIT
(Homo
sapiens)
5 / 11LEU A 662
LEU A 547
HIS A 551
LEU A 693
ALA A 508
None
1.09A18.50
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.
1H9Z_A_RWFA3001_1
(SERUM ALBUMIN)
4hbq MUCOSAL ADDRESSIN
CELL ADHESION
MOLECULE 1
(Homo
sapiens)
5 / 11ALA A 139
LEU A 129
LEU A 103
SER A  99
ALA A 111
None
1.13A15.46
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.
1H9Z_A_RWFA3001_1
(SERUM ALBUMIN)
5a31 ANAPHASE-PROMOTING
COMPLEX SUBUNIT 1
ANAPHASE-PROMOTING
COMPLEX SUBUNIT 5
(Homo
sapiens)
5 / 11ALA O 630
LEU O 634
LEU O 601
LEU A1787
ALA A1792
None
0.97A22.42
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.
1H9Z_A_RWFA3001_1
(SERUM ALBUMIN)
5lf8 NUCLEOSIDE
DIPHOSPHATE-LINKED
MOIETY X MOTIF 17
(Homo
sapiens)
5 / 11PHE A 284
LEU A 184
LEU A 163
LEU A  49
ALA A  59
None
None
None
None
EMC  A 402 ( 4.1A)
1.01A20.47
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.
1H9Z_A_RWFA3001_1
(SERUM ALBUMIN)
5mc5 XAA-PRO DIPEPTIDASE
(Homo
sapiens)
5 / 11ALA A 425
LEU A 435
LEU A 359
LEU A 338
SER A 350
None
1.13A9.20
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.
1H9Z_A_RWFA3001_1
(SERUM ALBUMIN)
5v8j CYCLIC GMP-AMP
SYNTHASE
(Homo
sapiens)
5 / 11ALA A 323
LEU A 322
LEU A 324
LEU A 262
ALA A 273
None
1.15A21.11
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.
1H9Z_A_RWFA3001_1
(SERUM ALBUMIN)
5wu3 SPECKLE TARGETED
PIP5K1A-REGULATED
POLY(A) POLYMERASE
(Homo
sapiens)
5 / 11ALA A 560
LEU A 563
LEU A 539
LEU A 512
ALA A 433
None
1.11A22.17
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.
1H9Z_A_RWFA3001_1
(SERUM ALBUMIN)
6co2 NUDT16-TUDOR-INTERAC
TING (NUDT16TI)
(Homo
sapiens)
5 / 11PHE A 111
ALA A 175
LEU A 176
LEU A 172
LEU A 160
None
1.15A8.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2BXD_A_RWFA2001_1
(SERUM ALBUMIN)
1tf0 SERUM ALBUMIN
(Homo
sapiens)
9 / 9TYR A 150
LYS A 199
PHE A 211
ARG A 222
LEU A 238
HIS A 242
ARG A 257
LEU A 260
ALA A 291
DKA  A1003 (-4.4A)
CIT  A2001 ( 2.7A)
None
CIT  A2001 ( 2.9A)
DKA  A1003 (-4.3A)
DKA  A1003 (-3.7A)
DKA  A1003 (-4.1A)
None
CIT  A2001 ( 3.9A)
0.38A100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2BXD_B_RWFB2001_1
(SERUM ALBUMIN)
1tf0 SERUM ALBUMIN
(Homo
sapiens)
8 / 10TYR A 150
LYS A 199
PHE A 211
ARG A 222
LEU A 238
HIS A 242
ILE A 290
ALA A 291
DKA  A1003 (-4.4A)
CIT  A2001 ( 2.7A)
None
CIT  A2001 ( 2.9A)
DKA  A1003 (-4.3A)
DKA  A1003 (-3.7A)
DKA  A1003 ( 4.5A)
CIT  A2001 ( 3.9A)
0.31A100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2BXD_B_RWFB2001_1
(SERUM ALBUMIN)
1tf0 SERUM ALBUMIN
(Homo
sapiens)
8 / 10TYR A 150
LYS A 199
PHE A 211
TRP A 214
ARG A 222
HIS A 242
ILE A 290
ALA A 291
DKA  A1003 (-4.4A)
CIT  A2001 ( 2.7A)
None
None
CIT  A2001 ( 2.9A)
DKA  A1003 (-3.7A)
DKA  A1003 ( 4.5A)
CIT  A2001 ( 3.9A)
0.64A100.00