Ligand ID: 3QB


Drugbank ID:
DB01627
(Lincomycin)


Indication:
Lincomycin is an antibiotic used in the treatment of staphylococcal, streptococcal, and Bacteroides fragilis infections.

Get human targets for 3QB in PDB (known and potential targets)

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND '3QB' 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.
4WH5_A_3QBA204_1
(LINCOSAMIDE
RESISTANCE PROTEIN)		1wnc E2 GLYCOPROTEIN
(SARSr-CoV)		5 / 12
PHE F 909
PHE D 909
ILE D 913
ALA D 912
GLN D 917
1.79A21.25
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.
4WH5_A_3QBA204_1
(LINCOSAMIDE
RESISTANCE PROTEIN)		2bx3 MAIN PROTEINASE
(SARS-COV
Sin2774)		5 / 12
GLY A 215
ASP A 216
PHE A 291
ILE A 213
PHE A   3
1.71A17.31
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.
4WH5_A_3QBA204_1
(LINCOSAMIDE
RESISTANCE PROTEIN)		2cjr NUCLEOCAPSID PROTEIN
(SARS-COV
TW1)		5 / 12
GLY E 285
HIS F 335
PHE E 315
PHE F 315
ALA F 314
1.40A17.86
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.
4WH5_A_3QBA204_1
(LINCOSAMIDE
RESISTANCE PROTEIN)		2gib NUCLEOCAPSID PROTEIN
(SARSr-CoV)		5 / 12
GLY B 285
HIS A 335
PHE B 315
PHE A 315
ALA A 314
1.52A19.50
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.
4WH5_A_3QBA204_1
(LINCOSAMIDE
RESISTANCE PROTEIN)		2ozk URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		5 / 12
HIS B 234
PHE B 240
PHE B 302
ILE B 306
GLN B 309
1.72A18.47
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.
4WH5_A_3QBA204_1
(LINCOSAMIDE
RESISTANCE PROTEIN)		2qc2 3C-LIKE PROTEINASE
(-)		5 / 12
GLY A 215
ASP A 216
PHE A 291
ILE A 213
PHE A   3
1.62A17.63
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.
4WH5_A_3QBA204_1
(LINCOSAMIDE
RESISTANCE PROTEIN)		3d0h ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 12
GLY B 561
HIS B 401
PHE B 525
ALA B 569
PHE B 400
1.72A14.41
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.
4WH5_A_3QBA204_1
(LINCOSAMIDE
RESISTANCE PROTEIN)		3eaj 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
ASP B 245
HIS A 134
PHE A 112
ILE A 106
GLN A 110
1.75A17.31
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.
4WH5_B_3QBB203_1
(LINCOSAMIDE
RESISTANCE PROTEIN)		3sck SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 11
ASP E 393
ARG E 395
ASP E 392
TRP E 340
PHE E 387
1.72A14.59
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.
4WH5_A_3QBA204_1
(LINCOSAMIDE
RESISTANCE PROTEIN)		3scl ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 12
GLY A 377
ASP A 382
HIS A 401
PHE A 356
ILE A 379
1.77A14.41
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.
4WH5_A_3QBA204_1
(LINCOSAMIDE
RESISTANCE PROTEIN)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		5 / 12
GLY A 232
ASP A 234
PHE A 217
ALA A 225
HIS C 229
1.57A18.24
None
None
None
None
ZN  C 601 (-2.9A)
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.
4WH5_A_3QBA204_1
(LINCOSAMIDE
RESISTANCE PROTEIN)		5x58 SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		5 / 12
HIS A1040
PHE A 764
ILE A 852
ALA A 853
PHE A 805
1.60A8.59
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.
4WH5_A_3QBA204_1
(LINCOSAMIDE
RESISTANCE PROTEIN)		5x59 S PROTEIN
(MERS-CoV)		5 / 12
ASP C 940
ILE B 762
ALA B 763
PHE B 764
HIS B 766
1.47A8.69
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.
4WH5_A_3QBA204_1
(LINCOSAMIDE
RESISTANCE PROTEIN)		5xlr SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
ASP B 600
GLY B 579
PHE B 629
ALA B 633
GLN B 599
1.77A8.59
ASP  B 600 ( 0.5A)
GLY  B 579 ( 0.0A)
PHE  B 629 ( 1.3A)
ALA  B 633 ( 0.0A)
GLN  B 599 ( 0.6A)
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.
4WH5_A_3QBA204_1
(LINCOSAMIDE
RESISTANCE PROTEIN)		6ack SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
GLY A 311
ASP A 312
ASP A 518
ILE A 520
GLN A 523
1.60A8.59
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.
4WH5_A_3QBA204_1
(LINCOSAMIDE
RESISTANCE PROTEIN)		6ack ACE2
(Homo
sapiens)		5 / 12
GLY D 104
PHE D 390
PHE D  32
ALA D  99
GLN D 102
1.48A14.41
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.
4WH5_A_3QBA204_1
(LINCOSAMIDE
RESISTANCE PROTEIN)		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
PHE B1092
ILE B 694
ALA B 695
GLN C 877
PHE B1057
1.80A8.80
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.
4WH5_B_3QBB203_1
(LINCOSAMIDE
RESISTANCE PROTEIN)		6crw SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 11
ASP A 393
ARG A 395
ASP A 392
TRP A 340
PHE A 387
1.80A8.80
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.
4WH5_A_3QBA204_1
(LINCOSAMIDE
RESISTANCE PROTEIN)		6cs0 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
HIS C1030
PHE C1034
ILE C 704
ALA C 912
PHE C 909
1.73A8.80
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.
4WH5_A_3QBA204_1
(LINCOSAMIDE
RESISTANCE PROTEIN)		6m1d ACE2
(Homo
sapiens)		5 / 12
ASP B 368
PHE B 327
ILE B 358
ALA B 348
HIS B 345
1.44A12.07
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.
4WH5_A_3QBA204_1
(LINCOSAMIDE
RESISTANCE PROTEIN)		6nb8 S230 ANTIGEN-BINDING
(FAB) FRAGMENT,
HEAVY CHAIN
S230 ANTIGEN-BINDING
(FAB) FRAGMENT,
LIGHT CHAIN
(Homo
sapiens)		5 / 12
ASP H 113
ASP H 101
ASP H 115
PHE L  41
GLN L  55
1.62A17.87
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.
4WH5_A_3QBA204_1
(LINCOSAMIDE
RESISTANCE PROTEIN)		6nus NSP12
(SARSr-CoV)		5 / 12
PHE A 419
PHE A 859
ILE A 888
ALA A 863
HIS A 882
1.74A10.12
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.
4WH5_A_3QBA204_1
(LINCOSAMIDE
RESISTANCE PROTEIN)		6vw1 ACE2
(Homo
sapiens)		5 / 12
GLY B 377
PHE B 356
ILE B 379
ALA B 348
HIS B 374
1.61A14.41
None