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.
4PD4_C_AOQC4003_1
(CYTOCHROME B)
2hi9 PLASMA SERINE
PROTEASE INHIBITOR
(Homo
sapiens)
5 / 12VAL A 334
ILE A 289
ILE A 184
PHE A 372
ILE A 249
None
1.07A22.63
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.
4PD4_C_AOQC4003_1
(CYTOCHROME B)
3mos TRANSKETOLASE
(Homo
sapiens)
5 / 12GLY A 569
VAL A 572
ILE A 537
LEU A 532
ILE A 529
None
1.02A20.13
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.
4PD4_C_AOQC4003_1
(CYTOCHROME B)
3rip GAMMA-TUBULIN
COMPLEX COMPONENT 4
(Homo
sapiens)
5 / 12ILE A 613
LEU A 595
PHE A 592
LEU A 588
ILE A 512
None
1.02A20.84
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.
4PD4_C_AOQC4003_1
(CYTOCHROME B)
3v4y NUCLEAR INHIBITOR OF
PROTEIN PHOSPHATASE
1
SERINE/THREONINE-PRO
TEIN PHOSPHATASE
PP1-ALPHA CATALYTIC
SUBUNIT
(Homo
sapiens)
5 / 12GLY A  67
ILE A  65
TYR A  70
LEU A  73
ILE B 210
None
1.04A20.90
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.
4PD4_C_AOQC4003_1
(CYTOCHROME B)
3zdu CYCLIN-DEPENDENT
KINASE-LIKE 3
(Homo
sapiens)
5 / 12GLY A 188
ILE A 262
LEU A 110
PHE A 107
ILE A 292
None
1.03A23.50
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.
4PD4_C_AOQC4003_1
(CYTOCHROME B)
4fm9 DNA TOPOISOMERASE
2-ALPHA
(Homo
sapiens)
5 / 12PHE A 569
GLY A 534
ILE A 536
LEU A 516
ILE A 507
None
1.07A18.52
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.
4PD4_C_AOQC4003_1
(CYTOCHROME B)
4npk EXTENDED
SYNAPTOTAGMIN-2
(Homo
sapiens)
5 / 12PHE A 391
GLY A 416
ILE A 418
LEU A 499
PHE A 489
None
0.96A18.23
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.
4PD4_C_AOQC4003_1
(CYTOCHROME B)
4p42 EXTENDED
SYNAPTOTAGMIN-2
(Homo
sapiens)
5 / 12PHE A 363
GLY A 388
ILE A 390
LEU A 471
PHE A 461
None
0.95A21.34
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.
4PD4_C_AOQC4003_1
(CYTOCHROME B)
4yep LAMININ SUBUNIT
ALPHA-2
(Homo
sapiens)
5 / 12GLY A1278
ILE A1276
PHE A1241
MET A1359
ILE A1357
None
None
None
None
EDO  A1409 ( 2.5A)
1.05A19.10
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.
4PD4_C_AOQC4003_1
(CYTOCHROME B)
4yeq LAMININ SUBUNIT
ALPHA-2
(Homo
sapiens)
5 / 12GLY U 103
ILE U 101
PHE U  66
MET U 184
ILE U 182
None
0.98A18.18
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.
4PD4_C_AOQC4003_1
(CYTOCHROME B)
5gwj DNA TOPOISOMERASE
2-BETA
(Homo
sapiens)
5 / 12PHE A 585
GLY A 550
ILE A 552
LEU A 532
ILE A 523
None
0.99A19.92
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.
4PD4_C_AOQC4003_1
(CYTOCHROME B)
5o1p ALPHA-AMINOADIPIC
SEMIALDEHYDE
SYNTHASE,
MITOCHONDRIAL
(Homo
sapiens)
5 / 12ILE A 903
ILE A 911
PRO A 877
LEU A 601
ILE A 579
None
0.97A21.89
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.
4PD4_C_AOQC4003_1
(CYTOCHROME B)
6bq1 PHOSPHATIDYLINOSITOL
4-KINASE III ALPHA
(PI4KA)
(Homo
sapiens)
5 / 12PHE A1872
GLY A2023
ILE A2074
LEU A1949
ILE A1972
None
0.84A0.00