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_LCRA612_1
(SERUM ALBUMIN)
1p22 SKP1
(Homo
sapiens)
5 / 9LEU B  95
GLY B  93
LEU B  94
LEU B  82
ALA B  86
None
1.05A14.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5DQF_A_LCRA612_1
(SERUM ALBUMIN)
1tf0 SERUM ALBUMIN
(Homo
sapiens)
6 / 9LYS A  20
LEU A  24
LEU A 135
LEU A 139
LEU A 155
ALA A 158
None
0.59A76.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5DQF_A_LCRA612_1
(SERUM ALBUMIN)
1tf0 SERUM ALBUMIN
(Homo
sapiens)
7 / 9LYS A 212
ASP A 324
LEU A 327
GLY A 328
LEU A 331
LEU A 347
ALA A 350
None
DKA  A1001 (-4.7A)
DKA  A1001 (-4.1A)
DKA  A1001 ( 4.1A)
None
DKA  A1002 ( 4.3A)
DKA  A1002 ( 3.8A)
0.74A76.63
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_LCRA612_1
(SERUM ALBUMIN)
2ast S-PHASE
KINASE-ASSOCIATED
PROTEIN 1A
(Homo
sapiens)
5 / 9LEU A1116
GLY A1114
LEU A1115
LEU A1103
ALA A1107
None
1.05A13.67
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_LCRA612_1
(SERUM ALBUMIN)
2ibu ACETYL-COA
ACETYLTRANSFERASE
(Homo
sapiens)
5 / 9LEU A 402
LEU A 409
GLY A 408
LEU A 398
ALA A 410
None
1.07A19.67
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_LCRA612_1
(SERUM ALBUMIN)
2w3c GENERAL VESICULAR
TRANSPORT FACTOR
P115
(Homo
sapiens)
5 / 9LEU A 126
LEU A  65
LEU A  69
LEU A  83
ALA A  82
None
1.09A21.19
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.
5DQF_A_LCRA612_1
(SERUM ALBUMIN)
3dwb ENDOTHELIN-CONVERTIN
G ENZYME 1
(Homo
sapiens)
5 / 9LEU A 443
GLY A 444
LEU A 447
LEU A 164
ALA A 178
None
0.90A21.22
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.
5DQF_A_LCRA612_1
(SERUM ALBUMIN)
3hdn SERINE/THREONINE-PRO
TEIN KINASE SGK1
(Homo
sapiens)
5 / 9LEU A 328
LEU A 283
GLY A 284
LEU A 287
ALA A 203
None
1.04A21.85
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_LCRA612_1
(SERUM ALBUMIN)
3i2n WD REPEAT-CONTAINING
PROTEIN 92
(Homo
sapiens)
5 / 9ASP A 191
GLY A 186
LEU A 215
LEU A 227
ALA A 229
None
1.09A19.50
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.
5DQF_A_LCRA612_1
(SERUM ALBUMIN)
4z3k SEPIAPTERIN
REDUCTASE
(Homo
sapiens)
5 / 9LEU A   9
GLY A  17
LEU A  20
LEU A 238
ALA A 235
None
1.02A19.46
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.
5DQF_A_LCRA612_1
(SERUM ALBUMIN)
5d68 KREV INTERACTION
TRAPPED PROTEIN 1
(Homo
sapiens)
5 / 9LEU A 374
ASP A 381
LEU A 375
LEU A 411
ALA A 414
None
1.01A21.17
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.
5DQF_A_LCRA612_1
(SERUM ALBUMIN)
5k8r PROTOCADHERIN
GAMMA-B3
(Homo
sapiens)
5 / 9LEU A 117
GLY A 119
LEU A 166
LEU A 170
ALA A 116
None
1.10A20.97
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_LCRA612_1
(SERUM ALBUMIN)
5vfr PROTEASOME SUBUNIT
ALPHA TYPE-4
(Homo
sapiens)
5 / 9LEU I  45
GLY I  36
LEU I  44
LEU I 190
ALA I 189
None
1.09Aundetectable
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_LCRA612_1
(SERUM ALBUMIN)
6f3d INTERLEUKIN-1
RECEPTOR-ASSOCIATED
KINASE 4
(Homo
sapiens)
5 / 9LEU A 396
LEU A 377
LEU A 378
LEU A 437
ALA A 433
None
1.03A8.22
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.
5DQF_A_LCRA612_1
(SERUM ALBUMIN)
6f7s SERRATE RNA EFFECTOR
MOLECULE
HOMOLOG,SERRATE RNA
EFFECTOR MOLECULE
HOMOLOG
(Homo
sapiens)
5 / 9LEU C 615
ASP C 519
LEU C 522
LEU C 526
LEU C 672
None
0.88A7.80