Ligand ID: DOL


Drugbank ID:
DB01764
(Dalfopristin)


Indication:
For the treatment of bacterial infections (usually in combination with quinupristin).

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

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'DOL' 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.
1MRL_A_DOLA300_1
(STREPTOGRAMIN A
ACETYLTRANSFERASE)		2acf REPLICASE
POLYPROTEIN 1AB
(SARS-COV
Tor2)		5 / 11
ILE A 313
LEU A 309
PRO A 280
LEU A 282
VAL A 333
1.78A25.46
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.
1MRL_A_DOLA300_1
(STREPTOGRAMIN A
ACETYLTRANSFERASE)		2fav REPLICASE
POLYPROTEIN 1AB
(PP1AB) (ORF1AB)
(SARSr-CoV)		5 / 11
ILE B 122
PRO A 137
LEU A 161
ASN A  38
VAL A  37
1.41A24.09
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.
1MRL_B_DOLB301_1
(STREPTOGRAMIN A
ACETYLTRANSFERASE)		2fe8 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
ILE A 223
ASN C 263
VAL C 166
TYR C 113
ASP C 165
1.74A19.62
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.
1MRL_A_DOLA300_1
(STREPTOGRAMIN A
ACETYLTRANSFERASE)		2kqv NSP3
(SARSr-CoV)		5 / 11
ILE A  38
MET A  25
PRO A  26
VAL A 113
TYR A 122
1.79A17.75
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.
1MRL_B_DOLB301_1
(STREPTOGRAMIN A
ACETYLTRANSFERASE)		2rhb URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		5 / 12
ILE E 327
LEU E  75
PRO E 190
VAL E  77
ASP E  78
1.79A20.71
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.
2Z2P_B_DOLB2003_1
(VIRGINIAMYCIN B
LYASE)		3d0i ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 10
GLU B 398
TRP B 461
GLY B 200
SER B 511
GLU B 457
1.68A18.60
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.
2Z2P_B_DOLB2003_1
(VIRGINIAMYCIN B
LYASE)		4hi3 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 10
PRO A 293
ASN A 203
THR A 201
LYS A 137
GLU A 288
1.65A20.40
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.
1MRL_B_DOLB301_1
(STREPTOGRAMIN A
ACETYLTRANSFERASE)		4rna PAPAIN-LIKE PROTEASE
(Human
betacoronavirus
2c
EMC/2012)		5 / 12
TYR A  55
HIS A 135
LEU A  71
LEU A 151
ASN A  14
1.61A21.36
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.
1MRL_A_DOLA300_1
(STREPTOGRAMIN A
ACETYLTRANSFERASE)		4rna PAPAIN-LIKE PROTEASE
(Human
betacoronavirus
2c
EMC/2012)		5 / 11
TYR A  55
HIS A 135
LEU A  71
LEU A 151
ASN A  14
1.68A21.36
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.
1MRL_A_DOLA300_1
(STREPTOGRAMIN A
ACETYLTRANSFERASE)		5c8t GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		5 / 11
TYR B 351
ILE B 363
LEU B 329
ASN B 395
ASP B 379
1.79A17.28
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.
1MRL_A_DOLA300_1
(STREPTOGRAMIN A
ACETYLTRANSFERASE)		5e6j POLYUBIQUITIN-B
REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV;
synthetic
construct)		5 / 11
ILE F  36
HIS F  68
LEU F   8
LEU F  43
ASN D 178
1.51A16.27
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.
1MRL_B_DOLB301_1
(STREPTOGRAMIN A
ACETYLTRANSFERASE)		5e6j POLYUBIQUITIN-B
REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV;
synthetic
construct)		5 / 12
ILE C  36
HIS C  68
LEU C   8
LEU C  43
ASN A 178
1.54A16.27
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.
1MRL_A_DOLA300_1
(STREPTOGRAMIN A
ACETYLTRANSFERASE)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		5 / 11
TYR A 511
ILE A 397
LEU A 519
LEU A 321
ASP B  99
1.61A16.89
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.
1MRL_B_DOLB301_1
(STREPTOGRAMIN A
ACETYLTRANSFERASE)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		5 / 12
TYR A 511
ILE A 397
LEU A 519
LEU A 321
ASP B  99
1.61A16.89
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.
1MRL_A_DOLA300_1
(STREPTOGRAMIN A
ACETYLTRANSFERASE)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		5 / 11
TYR B 677
ILE B 656
LEU B 681
MET C 851
LEU C 846
1.60A10.55
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.
1MRL_B_DOLB301_1
(STREPTOGRAMIN A
ACETYLTRANSFERASE)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		5 / 12
TYR B 677
ILE B 656
LEU B 681
MET C 851
LEU C 846
1.61A10.55
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.
1MRL_B_DOLB301_1
(STREPTOGRAMIN A
ACETYLTRANSFERASE)		5x5c S PROTEIN
(MERS-CoV)		5 / 12
ILE C 662
LEU C 715
ASN A 832
VAL A 804
ASP A 805
1.66A9.67
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.
1MRL_A_DOLA300_1
(STREPTOGRAMIN A
ACETYLTRANSFERASE)		5x5f S PROTEIN
(MERS-CoV)		5 / 11
LEU A 673
PRO B 936
LEU B 935
ASN A 719
ASP A 343
1.74A9.67
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.
1MRL_A_DOLA300_1
(STREPTOGRAMIN A
ACETYLTRANSFERASE)		6acd SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 11
TYR B 677
ILE B 656
LEU B 681
MET A 851
LEU A 846
1.77A10.96
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.
2Z2P_B_DOLB2003_1
(VIRGINIAMYCIN B
LYASE)		6acg ACE2
(Homo
sapiens)		5 / 10
GLU D 398
TRP D 461
GLY D 200
SER D 511
GLU D 457
1.61A18.09
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.
1MRL_B_DOLB301_1
(STREPTOGRAMIN A
ACETYLTRANSFERASE)		6acj SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
ILE A 117
ASN A  78
PRO A 136
LEU A 132
VAL A 254
1.48A10.96
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.
1MRL_A_DOLA300_1
(STREPTOGRAMIN A
ACETYLTRANSFERASE)		6ack ACE2
(Homo
sapiens)		5 / 11
TYR D 381
ILE D 379
LEU D 554
PRO D 321
VAL D 573
1.78A15.37
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.
1MRL_B_DOLB301_1
(STREPTOGRAMIN A
ACETYLTRANSFERASE)		6cs0 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
ILE B  87
ASN B  78
LEU B 235
PRO B  79
VAL B  97
1.67A10.70
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.
2Z2P_B_DOLB2003_1
(VIRGINIAMYCIN B
LYASE)		6cs0 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 10
ASN A  73
THR A  71
GLY A 177
SER A  95
GLU A 174
1.28A13.84
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.
1MRL_A_DOLA300_1
(STREPTOGRAMIN A
ACETYLTRANSFERASE)		6cs0 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 11
ILE A 652
PRO B 844
ASN B 746
VAL B 718
ASP B 719
1.80A10.70
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.
1MRL_B_DOLB301_1
(STREPTOGRAMIN A
ACETYLTRANSFERASE)		6jyt HELICASE
(SARSr-CoV)		5 / 12
ILE A 376
ASN A 559
PRO A 419
VAL A 533
ASP A 534
1.61A16.61
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.
1MRL_A_DOLA300_1
(STREPTOGRAMIN A
ACETYLTRANSFERASE)		6jyt HELICASE
(SARSr-CoV)		5 / 11
TYR B 398
ILE B 399
HIS B 395
LEU B 295
TYR B 246
1.66A16.61
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.
1MRL_A_DOLA300_1
(STREPTOGRAMIN A
ACETYLTRANSFERASE)		6m1d ACE2
(Homo
sapiens)		5 / 11
ILE B 407
LEU B 320
MET B 557
LEU B 529
ASN B 322
1.58A14.37
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.
1MRL_B_DOLB301_1
(STREPTOGRAMIN A
ACETYLTRANSFERASE)		6nur NSP12
(SARSr-CoV)		5 / 12
ILE A 307
HIS A 347
ASN A 297
PRO A 296
ASN A 356
1.73A12.04
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.
1MRL_A_DOLA300_1
(STREPTOGRAMIN A
ACETYLTRANSFERASE)		6nus NSP12
NSP8
(SARSr-CoV)		5 / 11
ILE B 107
HIS A 381
LEU B  98
PRO B 121
LEU B 117
1.79A22.88
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.
2Z2P_B_DOLB2003_1
(VIRGINIAMYCIN B
LYASE)		6vw1 ACE2
(Homo
sapiens)		5 / 10
GLU A 398
TRP A 461
GLY A 200
SER A 511
GLU A 457
1.67A18.27
None