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.
1T9W_A_NFNA6001_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)		2fmm PROTEIN EMSY
(Homo
sapiens)		3 / 3SER E  84
GLY E  85
ARG E  36
None
0.60A7.82
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.
1T9W_A_NFNA6001_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)		2ozo TYROSINE-PROTEIN
KINASE ZAP-70
(Homo
sapiens)		3 / 3SER A  14
GLY A  13
ARG A 119
None
0.37A19.67
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.
1T9W_A_NFNA6001_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)		3hx3 RETINALDEHYDE-BINDIN
G PROTEIN 1
(Homo
sapiens)		3 / 3SER A  76
GLY A  77
ARG A 115
None
0.60A15.96
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.
1T9W_A_NFNA6001_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)		3n2z LYSOSOMAL PRO-X
CARBOXYPEPTIDASE
(Homo
sapiens)		3 / 3SER B 179
GLY B 178
ARG B 460
None
0.69A18.16
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.
1T9W_A_NFNA6001_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)		4bb9 GLUCOKINASE
REGULATORY PROTEIN
(Homo
sapiens)		3 / 3SER A 183
GLY A 181
ARG A 518
F1P  A 702 ( 4.6A)
F1P  A 702 (-3.6A)
F1P  A 702 ( 4.2A)
0.67A22.05
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.
1T9W_A_NFNA6001_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)		4gxb SORTING NEXIN-17
(Homo
sapiens)		3 / 3SER A 312
GLY A 311
ARG A 267
None
0.63A13.75
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.
1T9W_A_NFNA6001_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)		4i8v CYTOCHROME P450 1A1
(Homo
sapiens)		3 / 3SER A 127
GLY A 128
ARG A 392
None
0.64A18.09
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.
1T9W_A_NFNA6001_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)		4jb9 ANTIBODY VRC06 HEAVY
CHAIN
(Homo
sapiens)		3 / 3SER H   7
GLY H   8
ARG H  12
None
0.68A13.32
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.
1T9W_A_NFNA6001_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)		4mwf ENVELOPE
GLYCOPROTEIN E2
FAB AR3C HEAVY CHAIN
(Hepacivirus
C;
Homo
sapiens)		3 / 3SER A 161
GLY A 162
ARG C 606
None
0.56A11.63
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.
1T9W_A_NFNA6001_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)		5d6b FUMARATE HYDRATASE,
MITOCHONDRIAL
(Homo
sapiens)		3 / 3SER A 347
GLY A 346
ARG A 233
None
0.63A18.83
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.
1T9W_A_NFNA6002_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)		1ex0 COAGULATION FACTOR
XIII A CHAIN
(Homo
sapiens)		4 / 7GLN A 468
PHE A 213
ARG A 333
ASN A 207
None
1.11A21.88
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.
1T9W_A_NFNA6002_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)		2gy5 ANGIOPOIETIN-1
RECEPTOR
(Homo
sapiens)		4 / 7MET A 116
GLN A  67
ALA A  63
PHE A 203
None
1.21A16.95
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.
1T9W_A_NFNA6002_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)		3b13 DEDICATOR OF
CYTOKINESIS PROTEIN
2
(Homo
sapiens)		4 / 7GLN A1440
ALA A1472
PHE A1442
ARG A1364
None
1.13A16.75
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.
1T9W_A_NFNA6002_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)		3g65 CHECKPOINT PROTEIN
HUS1
(Homo
sapiens)		4 / 7MET C  69
GLN C  60
PHE C   3
ASN C  40
None
1.12A15.18
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.
1T9W_A_NFNA6002_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)		4apf CULLIN 3
(Homo
sapiens)		4 / 7MET B 212
PHE B 209
ARG B 180
GLU B 243
None
1.27A15.73
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.
1T9W_A_NFNA6002_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)		5epg ALDEHYDE OXIDASE
(Homo
sapiens)		4 / 7GLN A 673
ALA A 878
ARG A 619
ASN A 913
None
1.38A22.73
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.
1T9W_A_NFNA6002_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)		5ue2 MATRILYSIN
(Homo
sapiens)		4 / 7GLN A  63
ALA A   4
ARG A  57
ASN A  55
None
1.07A12.84
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.
1T9W_A_NFNA6002_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)		5xbf UNCONVENTIONAL
MYOSIN-VIIB
(Homo
sapiens)		4 / 7ALA A2029
ARG A1892
ASN A2031
GLU A1915
None
1.34A19.29
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.
1T9W_A_NFNA6002_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)		5y31 DISINTEGRIN AND
METALLOPROTEINASE
DOMAIN-CONTAINING
PROTEIN 22
(Homo
sapiens)		4 / 7MET A 366
ALA A 266
PHE A 360
ARG A 256
None
1.26A5.72
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.
1T9W_A_NFNA6002_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)		5y3r DNA-DEPENDENT
PROTEIN KINASE
CATALYTIC SUBUNIT
(Homo
sapiens)		4 / 7ALA C2796
ARG C2538
ASN C2560
GLU C2564
None
1.28A13.74
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.
1T9W_A_NFNA6002_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)		6d6q EXOSOME COMPLEX
COMPONENT RRP40
(Homo
sapiens)		4 / 7GLN G 264
ALA G 256
ARG G 271
ASN G 252
None
1.12A5.62