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.
4GRQ_C_AVLC203_1
(MACROPHAGE MIGRATION
INHIBITORY FACTOR)
1lpb LIPASE
(Homo
sapiens)
4 / 7PHE B 198
PRO B 305
TYR B 314
PHE B 226
None
1.34A13.48
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.
4GRQ_C_AVLC203_1
(MACROPHAGE MIGRATION
INHIBITORY FACTOR)
3ba0 MACROPHAGE
METALLOELASTASE
(Homo
sapiens)
4 / 7PHE A 422
TYR A 393
GLN A 456
PHE A 389
None
1.39A14.52
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.
4GRQ_C_AVLC203_1
(MACROPHAGE MIGRATION
INHIBITORY FACTOR)
3fib FIBRINOGEN GAMMA
CHAIN RESIDUES
(Homo
sapiens)
4 / 7PHE A 215
TYR A 211
GLN A 195
PHE A 312
None
1.41A16.06
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.
4GRQ_C_AVLC203_1
(MACROPHAGE MIGRATION
INHIBITORY FACTOR)
3fib FIBRINOGEN GAMMA
CHAIN RESIDUES
(Homo
sapiens)
4 / 7PHE A 215
TYR A 211
TRP A 227
PHE A 312
None
1.19A16.06
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.
4GRQ_C_AVLC203_1
(MACROPHAGE MIGRATION
INHIBITORY FACTOR)
3ghg FIBRINOGEN GAMMA
CHAIN
(Homo
sapiens)
4 / 7PHE C 215
TYR C 211
GLN C 195
PHE C 312
PHE  C 215 ( 1.3A)
TYR  C 211 ( 1.3A)
GLN  C 195 ( 0.6A)
PHE  C 312 ( 1.3A)
1.39A13.33
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.
4GRQ_C_AVLC203_1
(MACROPHAGE MIGRATION
INHIBITORY FACTOR)
3ghg FIBRINOGEN GAMMA
CHAIN
(Homo
sapiens)
4 / 7PHE C 215
TYR C 211
TRP C 227
PHE C 312
PHE  C 215 ( 1.3A)
TYR  C 211 ( 1.3A)
TRP  C 227 ( 0.5A)
PHE  C 312 ( 1.3A)
1.29A13.33
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.
4GRQ_C_AVLC203_1
(MACROPHAGE MIGRATION
INHIBITORY FACTOR)
4epu ANGIOPOIETIN-1
(Homo
sapiens)
4 / 7PHE A 348
TYR A 344
TRP A 356
PHE A 425
None
1.23A17.54
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.
4GRQ_C_AVLC203_1
(MACROPHAGE MIGRATION
INHIBITORY FACTOR)
4epu ANGIOPOIETIN-1
(Homo
sapiens)
4 / 7TYR A 344
GLN A 328
TRP A 356
PHE A 425
None
1.45A17.54
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.
4GRQ_C_AVLC203_1
(MACROPHAGE MIGRATION
INHIBITORY FACTOR)
4f9z ENDOPLASMIC
RETICULUM RESIDENT
PROTEIN 27
(Homo
sapiens)
4 / 7PHE D 212
TYR D 225
TYR D 147
PHE D 156
None
1.16A18.75
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.
4GRQ_C_AVLC203_1
(MACROPHAGE MIGRATION
INHIBITORY FACTOR)
4pwy CALMODULIN-LYSINE
N-METHYLTRANSFERASE
(Homo
sapiens)
4 / 7TYR A 307
PRO A 314
TYR A 313
PHE A  68
None
1.46A16.29
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.
4GRQ_C_AVLC203_1
(MACROPHAGE MIGRATION
INHIBITORY FACTOR)
6eua ANGIOPOIETIN-RELATED
PROTEIN 3
(Homo
sapiens)
5 / 7PHE A 306
TYR A 302
GLN A 286
TRP A 314
PHE A 381
None
1.46A19.13