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-RELATED PROTEINS ONLY

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)		1x7q HLA, A-11
(Homo
sapiens)		5 / 9
LEU A 179
HIS A   3
ILE A  52
GLU A  53
GLU A 173
1.48A20.52
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)		2acf REPLICASE
POLYPROTEIN 1AB
(SARS-COV
Tor2)		5 / 9
LEU A 309
ILE A 335
ILE A 288
VAL A 259
GLU A 296
1.79A19.10
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)		2ahm REPLICASE
POLYPROTEIN 1AB,
HEAVY CHAIN
REPLICASE
POLYPROTEIN 1AB,
LIGHT CHAIN
(SARSr-CoV)		5 / 9
LEU F 108
ILE F 112
ILE B  44
GLU B  52
PHE B  54
1.69A21.66
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_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)		2ajf ACE2
(Homo
sapiens)		5 / 12
ARG B 514
ASP B 206
GLU B 398
TYR B 196
MET B 190
1.65A19.33
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)		2bx3 MAIN PROTEINASE
(SARS-COV
Sin2774)		5 / 9
LEU A 242
ILE A 249
GLU A 270
PHE A 230
VAL A 233
1.79A20.42
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)		2cjr NUCLEOCAPSID PROTEIN
(SARS-COV
TW1)		5 / 9
LEU E 354
ILE E 305
HIS E 357
ILE E 338
VAL F 325
1.77A16.50
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)		2cme HYPOTHETICAL PROTEIN
5
(SARSr-CoV)		5 / 9
LEU F  22
ILE E  75
ARG F  48
ILE F  46
VAL F  77
1.80A16.67
None
None
None
None
D10  F1099 (-4.9A)
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)		2fav REPLICASE
POLYPROTEIN 1AB
(PP1AB) (ORF1AB)
(SARSr-CoV)		5 / 9
LEU B 128
ILE B 154
ILE B 107
VAL B  78
GLU B 115
1.76A18.60
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)		2kqw NSP3
(SARSr-CoV)		5 / 9
HIS A 136
GLU A 162
PHE A 163
VAL A 171
GLU A 134
1.76A20.83
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)		2ozk URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		5 / 9
ILE A  63
ILE A  42
GLU A  41
PHE A  43
GLU A  56
1.73A20.11
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_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)		3d0g ACE2
SPIKE GLYCOPROTEIN
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 12
ASP A 355
ARG A 357
ASN E 479
SER A  43
TYR E 484
1.71A19.54
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)		3i6g HLA, A-2
(Homo
sapiens)		5 / 9
LEU D 179
HIS D   3
ILE D  52
GLU D  53
GLU D 173
1.39A22.19
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)		3i6l HLA, A-24
(Homo
sapiens)		5 / 9
LEU D 179
HIS D   3
ILE D  52
GLU D  53
GLU D 173
1.45A20.90
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)		3sci ACE2
(Homo
sapiens)		5 / 9
ILE B 446
ILE B 513
PHE B 512
VAL B 506
GLU B 402
1.51A19.33
None
None
None
None
ZN  B 901 (-2.2A)
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_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)		3scl ACE2
SPIKE GLYCOPROTEIN
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 12
ASP A 355
ARG A 357
ASN E 479
SER A  43
TYR E 484
1.73A19.54
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)		4m0w UBIQUITIN
(Bos
taurus)		5 / 9
LEU B  69
ARG B  72
GLU B  24
VAL B  26
GLU B  34
1.56A13.58
None
None
GOL  B 101 (-3.1A)
None
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)		5x5f S PROTEIN
(MERS-CoV)		5 / 9
LEU A 952
ILE A 861
ILE A 890
PHE A1126
VAL A1139
1.63A12.41
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_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)		6acd SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
ASP A1023
ASN C 759
ARG B1021
GLU C1013
MET A 709
1.75A12.81
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_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)		6acj ACE2
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARSr-CoV)		5 / 12
ASP D 355
ARG D 357
ASN C 479
SER D  43
TYR C 484
1.63A19.33
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)		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 9
ILE A1086
ARG A1089
ILE A 694
GLU A1054
PHE A1057
1.74A12.63
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_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)		6cs2 ACE2
SPIKE
GLYCOPROTEIN,FIBRITI
N
(Homo
sapiens;
SARSr-CoV)		5 / 12
ASP D 355
ARG D 357
ASN B 479
SER D  43
TYR B 484
1.59A19.16
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)		6cs2 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 9
ILE C1086
ARG C1089
ILE C 694
GLU C1054
PHE C1057
1.56A12.51
None
None
None
NAG  C1320 ( 4.6A)
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)		6iex MHC CLASS I ANTIGEN
(Homo
sapiens)		5 / 9
LEU A 179
HIS A   3
ILE A  52
GLU A  53
GLU A 173
1.42A21.50
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)		6m18 SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		5 / 9
LEU C  21
ILE C  15
ILE C 518
GLU C 519
PHE C 520
1.61A17.70
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_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)		6m1d ACE2
(Homo
sapiens)		5 / 12
ASP D 509
ASN D 394
GLU D 457
TYR D 207
TYR D 202
1.49A16.63
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)		6nb6 SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 9
ILE C1086
ARG C1089
ILE C 694
GLU C1054
PHE C1057
1.43A12.88
None
None
None
NAG  C1341 (-4.6A)
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)		6nur NSP12
NSP8
(SARSr-CoV)		5 / 9
LEU B  91
HIS A 381
ILE A 333
PHE A 340
VAL A 338
1.72A21.34
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)		6nur NSP12
NSP7
(SARSr-CoV)		5 / 9
LEU A 437
ARG A 858
ILE A 548
PHE A 843
VAL C  11
1.74A14.63
None