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.
3OZU_A_X89A411_1
(FLAVOHEMOPROTEIN)		2i6t UBIQUITIN-CONJUGATIN
G ENZYME E2-LIKE
ISOFORM A
(Homo
sapiens)		5 / 12ILE A 317
LEU A 290
VAL A 248
ALA A 207
LEU A 210
GOL  A   6 (-3.8A)
None
None
None
None
1.37A20.44
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.
3OZU_A_X89A411_1
(FLAVOHEMOPROTEIN)		2ozo TYROSINE-PROTEIN
KINASE ZAP-70
(Homo
sapiens)		5 / 12ALA A 601
LEU A 600
LEU A 533
ALA A 570
LEU A 571
None
1.26A21.03
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.
3OZU_A_X89A411_1
(FLAVOHEMOPROTEIN)		2z63 TOLL-LIKE RECEPTOR
4, VARIABLE
LYMPHOCYTE RECEPTOR
B
(Eptatretus
burgeri;
Homo
sapiens)		5 / 12ILE A 114
ALA A 133
LEU A 109
LEU A  69
LEU A 101
None
1.22A21.90
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.
3OZU_A_X89A411_1
(FLAVOHEMOPROTEIN)		3fhx PYRIDOXAL KINASE
(Homo
sapiens)		5 / 12ILE A 146
ALA A 238
LEU A 241
LEU A 252
ALA A 309
None
1.24A21.79
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.
3OZU_A_X89A411_1
(FLAVOHEMOPROTEIN)		3pyc E3 UBIQUITIN-PROTEIN
LIGASE SMURF1
(Homo
sapiens)		5 / 12ILE A 105
LEU A 100
VAL A  98
LEU A  17
ALA A  38
None
1.00A14.32
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.
3OZU_A_X89A411_1
(FLAVOHEMOPROTEIN)		3rk6 POLYADENYLATE-BINDIN
G
PROTEIN-INTERACTING
PROTEIN 1
(Homo
sapiens)		5 / 12ILE A 152
ALA A 117
LEU A 118
VAL A 122
LEU A 142
None
1.10A21.18
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.
3OZU_A_X89A411_1
(FLAVOHEMOPROTEIN)		3vzb SPHINGOSINE KINASE 1
(Homo
sapiens)		5 / 12ILE A 101
PHE A 359
VAL A  64
LEU A 105
LEU A  83
None
0.98A22.72
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.
3OZU_A_X89A411_1
(FLAVOHEMOPROTEIN)		4b99 MITOGEN-ACTIVATED
PROTEIN KINASE 7
(Homo
sapiens)		5 / 12ILE A 115
ALA A  82
LEU A 137
VAL A 135
ALA A  89
R4L  A1394 (-4.9A)
R4L  A1394 ( 3.7A)
R4L  A1394 (-3.9A)
None
None
1.04A22.00
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.
3OZU_A_X89A411_1
(FLAVOHEMOPROTEIN)		4f2a CHOLESTERYL ESTER
TRANSFER PROTEIN
(Homo
sapiens)		5 / 12ILE A  11
PHE A 263
LEU A 457
ALA A 373
LEU A 380
0SF  A 610 (-3.2A)
0SF  A 610 ( 4.1A)
2OB  A 606 (-4.5A)
2OB  A 606 ( 3.8A)
None
0.99A21.78
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.
3OZU_A_X89A411_1
(FLAVOHEMOPROTEIN)		4k6j WINGS APART-LIKE
PROTEIN HOMOLOG
(Homo
sapiens)		5 / 12ILE A 873
LEU A 940
VAL A 936
ALA A 887
LEU A 888
None
0.96A20.44
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.
3OZU_A_X89A411_1
(FLAVOHEMOPROTEIN)		5c1b TRANSITIONAL
ENDOPLASMIC
RETICULUM ATPASE
(Homo
sapiens)		5 / 12ILE A 100
ALA A  67
LEU A  59
VAL A  57
LEU A  72
None
1.04A18.98
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.
3OZU_A_X89A411_1
(FLAVOHEMOPROTEIN)		5c4g PHOSPHATIDYLINOSITOL
4-KINASE BETA
(Homo
sapiens)		5 / 12ALA E 357
LEU E 354
LEU E 317
ALA E 371
LEU E 383
None
None
None
None
BQR  E 803 ( 4.3A)
1.15A22.12
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.
3OZU_A_X89A411_1
(FLAVOHEMOPROTEIN)		5c4g PHOSPHATIDYLINOSITOL
4-KINASE BETA
(Homo
sapiens)		5 / 12LEU E 354
VAL E 386
LEU E 317
ALA E 371
LEU E 383
None
None
None
None
BQR  E 803 ( 4.3A)
1.30A22.12
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.
3OZU_A_X89A411_1
(FLAVOHEMOPROTEIN)		5gl7 METHIONINE--TRNA
LIGASE, CYTOPLASMIC
(Homo
sapiens)		5 / 12ILE A 708
TYR A 692
LEU A 756
VAL A 763
ALA A 614
None
1.29A19.47
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.
3OZU_A_X89A411_1
(FLAVOHEMOPROTEIN)		5j6s ENDOPLASMIC
RETICULUM
AMINOPEPTIDASE 2
(Homo
sapiens)		5 / 12PHE A 314
TYR A 313
LEU A 482
ALA A 490
LEU A 391
None
1.23A17.53
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.
3OZU_A_X89A411_1
(FLAVOHEMOPROTEIN)		5x4l TRANSITIONAL
ENDOPLASMIC
RETICULUM ATPASE
(Homo
sapiens)		5 / 12ILE A 100
ALA A  67
LEU A  59
VAL A  57
LEU A  72
None
1.00A17.57
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.
3OZU_A_X89A411_1
(FLAVOHEMOPROTEIN)		5xgs RCC1-LIKE G
EXCHANGING
FACTOR-LIKE PROTEIN
(Homo
sapiens)		5 / 12ALA A 281
LEU A 280
VAL A 285
HIS A 331
ALA A 341
None
1.23A22.77