Ligand ID: SPR


Drugbank ID:
DB06145
(Spiramycin)


Indication:
Macrolide antibiotic for treatment of various infections.

Get human targets for SPR in PDB (known and potential targets)

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'SPR' AND SARS-COV-2 / COVID-19 STRUCTURES

1) User may click on the DrReposER ID (the first 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 throuh AutoDock Vina.

DrReposER ID / Desc. Hit
PDBID		 Hit
Macromolecule		 Res.
Matches		 View Interface RMSD Seq.
Identity (%)		 HETATM 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.
5IGZ_A_SPRA404_2
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)		6m71 NSP12
NSP7
(SARS-CoV-2)		5 / 9
LEU A 437
ARG A 858
ILE A 548
PHE A 843
VAL C  11
1.67A14.71
None
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.
5IGZ_A_SPRA404_2
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)		6m71 NSP12
NSP8
(SARS-CoV-2)		5 / 9
LEU B  91
HIS A 381
ILE A 333
PHE A 340
VAL A 338
1.57A21.97
None
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.
5IGZ_A_SPRA404_2
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)		6vsb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 9
ILE B1115
ARG B1107
ILE B 712
GLU B1072
PHE B1075
1.58A12.36
None
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.
5IGZ_A_SPRA404_2
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)		6w41 CR3022 FAB HEAVY
CHAIN
CR3022 FAB LIGHT
CHAIN
SPIKE PROTEIN S1
(Homo
sapiens;
SARS-CoV-2)		5 / 9
ILE H  98
ILE L  28
GLU C 516
PHE C 515
VAL C 395
1.44A20.76
None
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.
5IGZ_A_SPRA404_2
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)		6wiq NSP7
NSP8
(SARS-CoV-2)		5 / 9
LEU B 103
ILE B 107
ILE A  39
GLU A  47
PHE A  49
1.72A18.67
None
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.
5IGZ_A_SPRA404_2
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)		6wqd NSP7
NSP8
(SARS-CoV-2)		5 / 9
LEU D 103
ILE D 107
ILE C  39
GLU C  47
PHE C  49
1.74A18.67
None
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.
5IGZ_A_SPRA404_2
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)		6wqd NSP7
NSP8
(SARS-CoV-2)		5 / 9
LEU B 103
ILE B 107
ILE A  39
GLU A  47
PHE A  49
1.78A18.67
None
None
None
EDO  A 101 (-4.2A)
None
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.
5IGZ_A_SPRA404_2
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)		6yla HEAVY CHAIN
LIGHT CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		5 / 9
ILE H 102
ILE L  34
GLU E 516
PHE E 515
VAL E 395
1.35A19.34
None
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.
5IGZ_A_SPRA404_2
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)		6yla HEAVY CHAIN
LIGHT CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		5 / 9
ILE B 102
ILE C  34
GLU A 516
PHE A 515
VAL A 395
1.72A19.34
None
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.
5IGZ_A_SPRA404_2
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)		6ym0 HEAVY CHAIN
LIGHT CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		5 / 9
ILE H 102
ILE L  34
GLU E 516
PHE E 515
VAL E 395
1.38A19.34
None
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.
5IGZ_A_SPRA404_2
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)		6yor IGG H CHAIN
IGG L CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		5 / 9
ILE H 102
ILE L  34
GLU E 516
PHE E 515
VAL E 395
1.34A19.34
None
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.
5IGZ_A_SPRA404_2
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)		6yor IGG H CHAIN
IGG L CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		5 / 9
ILE B 102
ILE C  34
GLU A 516
PHE A 515
VAL A 395
1.35A19.34
None
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.
5IGZ_A_SPRA404_2
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)		7btf NSP12
NSP8
(SARS-CoV-2)		5 / 9
LEU B  91
HIS A 381
ILE A 333
PHE A 340
VAL A 338
1.54A21.97
None
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.
5IGZ_A_SPRA404_2
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)		7bv1 NSP12
NSP8
(SARS-CoV-2)		5 / 9
LEU B  91
HIS A 381
ILE A 333
PHE A 340
VAL A 338
1.62A20.78
None
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.
5IGZ_A_SPRA404_2
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)		7bv2 NSP12
NSP8
(SARS-CoV-2)		5 / 9
LEU B  91
HIS A 381
ILE A 333
PHE A 340
VAL A 338
1.75A20.78
None