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.
1YVM_A_TMGA501_1
(METHIONINE
AMINOPEPTIDASE)
1z6t APOPTOTIC PROTEASE
ACTIVATING FACTOR 1
(Homo
sapiens)
4 / 7CYH A 480
TYR A 484
HIS A 468
TRP A 509
None
1.24A18.06
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.
1YVM_A_TMGA501_1
(METHIONINE
AMINOPEPTIDASE)
3zvz E3 UBIQUITIN-PROTEIN
LIGASE UHRF1
(Homo
sapiens)
4 / 7CYH B 336
CYH B 363
HIS B 319
TRP B 358
ZN  B 434 (-2.3A)
ZN  B 434 (-2.3A)
None
None
1.50A11.74
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.
1YVM_A_TMGA501_1
(METHIONINE
AMINOPEPTIDASE)
4cvh ISOPRENOID SYNTHASE
DOMAIN-CONTAINING
PROTEIN
(Homo
sapiens)
4 / 7CYH A 229
TYR A 226
TYR A 247
HIS A 127
None
None
None
MG  A1452 (-4.2A)
1.40A22.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1YVM_A_TMGA501_1
(METHIONINE
AMINOPEPTIDASE)
4hxx METHIONINE
AMINOPEPTIDASE 1
(Homo
sapiens)
5 / 7TYR A 195
CYH A 203
HIS A 212
HIS A 310
TRP A 353
1AY  A 405 (-4.3A)
1AY  A 405 ( 3.9A)
CO  A 403 ( 3.3A)
1AY  A 405 (-3.4A)
None
0.65A45.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1YVM_A_TMGA501_1
(METHIONINE
AMINOPEPTIDASE)
4iu6 METHIONINE
AMINOPEPTIDASE 1
(Homo
sapiens)
4 / 7CYH A 203
HIS A 212
HIS A 310
TRP A 353
FZ1  A 405 (-3.5A)
CO  A 403 ( 3.1A)
FZ1  A 405 (-3.4A)
None
0.73A33.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1YVM_A_TMGA501_1
(METHIONINE
AMINOPEPTIDASE)
4iu6 METHIONINE
AMINOPEPTIDASE 1
(Homo
sapiens)
4 / 7TYR A 195
CYH A 203
HIS A 212
HIS A 310
FZ1  A 405 (-4.4A)
FZ1  A 405 (-3.5A)
CO  A 403 ( 3.1A)
FZ1  A 405 (-3.4A)
0.44A33.33
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.
3SFE_C_TMGC1_1
(SUCCINATE
DEHYDROGENASE
[UBIQUINONE]
IRON-SULFUR SUBUNIT,
MITOCHONDRIAL
SUCCINATE
DEHYDROGENASE
CYTOCHROME B560
SUBUNIT,
MITOCHONDRIAL)
1g1c IMMUNOGLOBULIN-LIKE
DOMAIN I1 FROM TITIN
(Homo
sapiens)
4 / 8ILE A   8
TRP A  39
SER A  90
ILE A  12
None
1.10A19.56
17.14
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.
3SFE_C_TMGC1_1
(SUCCINATE
DEHYDROGENASE
[UBIQUINONE]
IRON-SULFUR SUBUNIT,
MITOCHONDRIAL
SUCCINATE
DEHYDROGENASE
CYTOCHROME B560
SUBUNIT,
MITOCHONDRIAL)
1kwa HCASK/LIN-2 PROTEIN
(Homo
sapiens)
4 / 8HIS A 512
ILE A 514
ILE A 536
ARG A 537
None
0.97A15.66
23.58
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.
3SFE_C_TMGC1_1
(SUCCINATE
DEHYDROGENASE
[UBIQUINONE]
IRON-SULFUR SUBUNIT,
MITOCHONDRIAL
SUCCINATE
DEHYDROGENASE
CYTOCHROME B560
SUBUNIT,
MITOCHONDRIAL)
1oww FIBRONECTIN FIRST
TYPE III MODULE
(Homo
sapiens)
4 / 8PRO A  25
HIS A  29
ILE A  30
SER A  75
None
1.11A16.74
22.73
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.
3SFE_C_TMGC1_1
(SUCCINATE
DEHYDROGENASE
[UBIQUINONE]
IRON-SULFUR SUBUNIT,
MITOCHONDRIAL
SUCCINATE
DEHYDROGENASE
CYTOCHROME B560
SUBUNIT,
MITOCHONDRIAL)
2a9j BISPHOSPHOGLYCERATE
MUTASE
(Homo
sapiens)
4 / 8PRO A 213
ILE A 245
ILE A 210
ARG A 117
None
None
None
3PG  A 408 (-2.8A)
0.91A20.65
22.41
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.
3SFE_C_TMGC1_1
(SUCCINATE
DEHYDROGENASE
[UBIQUINONE]
IRON-SULFUR SUBUNIT,
MITOCHONDRIAL
SUCCINATE
DEHYDROGENASE
CYTOCHROME B560
SUBUNIT,
MITOCHONDRIAL)
2if7 SLAM FAMILY MEMBER 6
(Homo
sapiens)
4 / 8PRO A  51
HIS A  54
ILE A  53
ILE A  31
None
0.94A16.41
22.04
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.
3SFE_C_TMGC1_1
(SUCCINATE
DEHYDROGENASE
[UBIQUINONE]
IRON-SULFUR SUBUNIT,
MITOCHONDRIAL
SUCCINATE
DEHYDROGENASE
CYTOCHROME B560
SUBUNIT,
MITOCHONDRIAL)
4p7h MYOSIN-7,GREEN
FLUORESCENT PROTEIN
(Aequorea
victoria;
Homo
sapiens)
4 / 8HIS A 284
ILE A 285
ILE A 313
ARG A 281
None
1.07A13.52
9.02
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.
3SFE_C_TMGC1_1
(SUCCINATE
DEHYDROGENASE
[UBIQUINONE]
IRON-SULFUR SUBUNIT,
MITOCHONDRIAL
SUCCINATE
DEHYDROGENASE
CYTOCHROME B560
SUBUNIT,
MITOCHONDRIAL)
5k1b WD REPEAT-CONTAINING
PROTEIN 48
(Homo
sapiens)
4 / 8PRO B 514
HIS B  73
SER B  52
ILE B  53
None
0.95A13.93
12.73