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.
1MRL_A_DOLA300_1
(STREPTOGRAMIN A
ACETYLTRANSFERASE)		2id5 LEUCINE RICH REPEAT
NEURONAL 6A
(Homo
sapiens)		5 / 11ILE A 207
LEU A 247
PRO A 240
LEU A 255
ASN A 225
None
None
None
None
NAG  A 488 (-1.8A)
1.17A15.72
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.
1MRL_A_DOLA300_1
(STREPTOGRAMIN A
ACETYLTRANSFERASE)		4fgu LEGUMAIN
(Homo
sapiens)		5 / 11TYR A 144
ILE A 143
MET A 195
LEU A 154
VAL A 258
None
1.35A15.94
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.
1MRL_B_DOLB301_1
(STREPTOGRAMIN A
ACETYLTRANSFERASE)		1xjl ANNEXIN A2
(Homo
sapiens)		5 / 12ILE A  42
LEU A 102
LEU A  91
ASN A  65
TYR A 109
None
1.49A21.40
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.
1MRL_B_DOLB301_1
(STREPTOGRAMIN A
ACETYLTRANSFERASE)		2id5 LEUCINE RICH REPEAT
NEURONAL 6A
(Homo
sapiens)		5 / 12ILE A 207
LEU A 247
PRO A 240
LEU A 255
ASN A 225
None
None
None
None
NAG  A 488 (-1.8A)
1.19A15.72
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.
1MRL_B_DOLB301_1
(STREPTOGRAMIN A
ACETYLTRANSFERASE)		3a77 INTERFERON
REGULATORY FACTOR 3
(Homo
sapiens)		5 / 12ILE A 395
ASN A 190
LEU A 415
PRO A 191
LEU A 401
None
None
None
None
SEP  A 402 ( 4.2A)
1.28A17.07
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.
1MRL_B_DOLB301_1
(STREPTOGRAMIN A
ACETYLTRANSFERASE)		3vut DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 4
(Homo
sapiens)		5 / 12ILE A 250
MET A 153
VAL A 286
TYR A 358
ASP A 289
None
1.14A19.94
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.
1MRL_B_DOLB301_1
(STREPTOGRAMIN A
ACETYLTRANSFERASE)		3w1g DNA LIGASE 4
(Homo
sapiens)		5 / 12ILE A 203
PRO A  73
LEU A 194
VAL A  14
ASP A  18
None
1.50A15.47
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.
1MRL_B_DOLB301_1
(STREPTOGRAMIN A
ACETYLTRANSFERASE)		4fgu LEGUMAIN
(Homo
sapiens)		5 / 12TYR A 144
ILE A 143
MET A 195
LEU A 154
VAL A 258
None
1.31A15.94
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.
1MRL_B_DOLB301_1
(STREPTOGRAMIN A
ACETYLTRANSFERASE)		4piv FATTY ACID SYNTHASE
(Homo
sapiens)		5 / 12HIS A1122
ASN A1234
LEU A1402
ASN A1458
VAL A1454
None
1.34A14.22
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.
1MRL_B_DOLB301_1
(STREPTOGRAMIN A
ACETYLTRANSFERASE)		5fql IDURONATE-2-SULFATAS
E
(Homo
sapiens)		5 / 12ILE A 492
ASN A 456
PRO A 457
LEU A 548
VAL A 424
None
1.38A15.53
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.
1MRL_C_DOLC302_1
(STREPTOGRAMIN A
ACETYLTRANSFERASE)		4z2a FURIN
(Homo
sapiens)		5 / 10VAL A 175
ASP A 174
TYR A 167
ASN A 243
LEU A 242
None
CA  A 602 (-3.4A)
None
None
None
1.46A16.41
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.
1MRL_C_DOLC302_1
(STREPTOGRAMIN A
ACETYLTRANSFERASE)		5ndz LYSOZYME,PROTEINASE-
ACTIVATED RECEPTOR
2,SOLUBLE CYTOCHROME
B562,PROTEINASE-ACTI
VATED RECEPTOR 2
(Escherichia
coli;
Escherichia
virus
T4;
Homo
sapiens)		5 / 10VAL A  61
ASP A  62
TYR A 326
ASN A 139
LEU A  69
None
1.44A16.69
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.
2Z2P_B_DOLB2003_1
(VIRGINIAMYCIN B
LYASE)		3i8z E3 SUMO-PROTEIN
LIGASE CBX4
(Homo
sapiens)		5 / 10PRO A  37
ASN A  40
GLU A  17
SER A  15
GLU A  14
None
1.47A9.40