Ligand ID: LLL


Drugbank ID:
DB04729
(GENTAMICIN C1A)


Indication:

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

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'LLL' 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.
6MN5_B_LLLB301_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE, AAC(3)-IVA)		6lxt SPIKE PROTEIN S2
(SARS-CoV-2)		4 / 7
ASP A 979
ARG A 983
GLU C 988
ASP C 985
1.75A20.83
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.
6MN5_D_LLLD301_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE, AAC(3)-IVA)		6lxt SPIKE PROTEIN S2
(SARS-CoV-2)		4 / 6
ASP A 979
ARG A 983
GLU C 988
ASP C 985
1.79A20.83
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.
6MN5_C_LLLC301_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE, AAC(3)-IVA)		6lze VIRAL PROTEASE
(SARS-CoV-2)		4 / 6
ASP A 295
GLU A 290
ASP A 289
GLU A 240
1.75A23.97
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.
6MN5_D_LLLD301_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE, AAC(3)-IVA)		6m03 MAIN PROTEASE
(SARS-CoV-2)		4 / 6
ASP A 295
GLU A 290
ASP A 289
GLU A 240
1.69A23.97
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.
6MN5_A_LLLA301_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE, AAC(3)-IVA)		6m03 MAIN PROTEASE
(SARS-CoV-2)		4 / 6
ASP A 295
GLU A 290
ASP A 289
GLU A 240
1.71A23.97
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.
6MN5_B_LLLB301_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE, AAC(3)-IVA)		6m03 MAIN PROTEASE
(SARS-CoV-2)		4 / 7
ASP A 295
GLU A 290
ASP A 289
GLU A 240
1.68A23.97
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.
6MN5_C_LLLC301_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE, AAC(3)-IVA)		6m0k VIRAL PROTEASE
(SARS-CoV-2)		4 / 6
ASP A 295
GLU A 290
ASP A 289
GLU A 240
1.77A23.97
DMS  A 404 ( 4.8A)
None
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.
6MN5_B_LLLB301_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE, AAC(3)-IVA)		6m3m NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 7
ARG A  89
TYR A  87
GLU A 119
GLU B  63
1.67A17.46
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.
6MN5_B_LLLB301_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE, AAC(3)-IVA)		6m71 NSP12
(SARS-CoV-2)		4 / 7
ASP A 303
ARG A 305
GLU A 474
CYH A 730
1.74A13.10
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.
6MN1_B_LLLB302_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE)		6m71 NSP8
(SARS-CoV-2)		5 / 10
ASP B 143
GLY B 144
ASP B 134
THR B 137
SER B 173
1.30A21.76
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.
6MN1_A_LLLA302_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE)		6m71 NSP8
(SARS-CoV-2)		5 / 10
ASP B 143
GLY B 144
ASP B 134
THR B 137
SER B 173
1.30A21.76
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.
6MN1_A_LLLA302_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE)		6vsb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 10
ASP A 614
ASP B 737
ASP B 775
THR B 734
SER B 735
1.78A12.59
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.
6MN5_A_LLLA301_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE, AAC(3)-IVA)		6vxx SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 6
ASP C  53
TYR C 204
ASP C 228
GLU B 516
1.45A11.79
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.
6MN1_A_LLLA302_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE)		6vxx SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 10
ASP C 420
GLY C 416
TYR A 369
ASP A 389
SER A 383
1.41A12.01
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.
6MN5_B_LLLB301_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE, AAC(3)-IVA)		6w01 URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		4 / 7
ASP B 297
GLU B 211
ASP B 301
GLU B 305
1.59A20.68
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.
6MN5_E_LLLE301_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE, AAC(3)-IVA)		6w41 CR3022 FAB HEAVY
CHAIN
CR3022 FAB LIGHT
CHAIN
SPIKE PROTEIN S1
(Homo
sapiens;
SARS-CoV-2)		4 / 7
ASP C 389
TYR L  49
GLU L  55
ASP H 101
1.52A20.23
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.
6MN5_F_LLLF301_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE, AAC(3)-IVA)		6w41 CR3022 FAB HEAVY
CHAIN
CR3022 FAB LIGHT
CHAIN
SPIKE PROTEIN S1
(Homo
sapiens;
SARS-CoV-2)		4 / 5
ASP C 389
TYR L  49
GLU L  55
ASP H 101
1.62A20.23
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.
6MN1_B_LLLB302_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 10
ASP A6897
GLY A6871
ASP A7091
THR A6915
THR A6908
1.78A
SAM  A7104 (-2.8A)
SAM  A7104 (-4.4A)
None
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.
6MN1_B_LLLB302_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE)		6w75 NSP16
(SARS-CoV-2)		5 / 10
ASP A6897
GLY A6871
ASP A7091
THR A6915
THR A6908
1.70A19.77
SAM  A7102 ( 2.6A)
SAM  A7102 ( 4.2A)
None
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.
6MN1_B_LLLB302_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE)		6w75 NSP16
(SARS-CoV-2)		5 / 10
ASP C6897
GLY C6871
ASP C7091
THR C6915
THR C6908
1.76A19.77
SAM  C7105 ( 2.7A)
SAM  C7105 ( 4.2A)
None
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.
6MN1_A_LLLA302_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE)		6w75 NSP16
(SARS-CoV-2)		5 / 10
ASP A6897
GLY A6871
ASP A7091
THR A6915
THR A6908
1.78A19.77
SAM  A7102 ( 2.6A)
SAM  A7102 ( 4.2A)
None
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.
6MN1_B_LLLB302_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 10
ASP A6897
GLY A6871
ASP A7091
THR A6915
THR A6908
1.73A
SAH  A7102 (-2.6A)
SAH  A7102 (-4.4A)
None
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.
6MN1_B_LLLB302_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 10
ASP C6897
GLY C6871
ASP C7091
THR C6915
THR C6908
1.77A
SAH  C7102 (-2.6A)
SAH  C7102 (-4.4A)
None
FMT  C7107 (-3.7A)
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.
6MN1_B_LLLB302_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 10
TYR D 109
ASP A 144
ASP D  63
THR D  57
SER D 105
1.76A
None
None
None
ZN  A 201 ( 4.4A)
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.
6MN1_A_LLLA302_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 10
TYR D 109
ASP A 144
ASP D  63
THR D  57
SER D 105
1.70A19.47
None
None
None
ZN  A 201 ( 4.4A)
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.
6MN1_A_LLLA302_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 10
TYR B 109
ASP C 144
ASP B  63
THR B  57
SER B 105
1.78A19.47
None
None
None
ZN  C 201 ( 4.4A)
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.
6MN1_B_LLLB302_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE)		6wkq NSP16
(SARS-CoV-2)		5 / 10
ASP A6897
GLY A6871
ASP A7091
THR A6915
THR A6908
1.72A
SFG  A7103 ( 2.7A)
SFG  A7103 ( 4.2A)
None
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.
6MN1_A_LLLA302_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE)		6wkq NSP16
(SARS-CoV-2)		5 / 10
ASP A6897
GLY A6871
ASP A7091
THR A6915
THR A6908
1.79A22.50
SFG  A7103 ( 2.7A)
SFG  A7103 ( 4.2A)
None
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.
6MN1_B_LLLB302_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE)		6wkq NSP16
(SARS-CoV-2)		5 / 10
ASP C6897
GLY C6871
ASP C7091
THR C6915
THR C6908
1.75A
SFG  C7103 ( 2.6A)
SFG  C7103 ( 4.1A)
None
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.
6MN5_B_LLLB301_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE, AAC(3)-IVA)		6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		4 / 7
ASP B 297
GLU B 211
ASP B 301
GLU B 305
1.60A19.78
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.
6MN5_E_LLLE301_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE, AAC(3)-IVA)		6wrh PEPTIDASE C16
(SARS-CoV-2)		4 / 7
ASP A 302
TYR A 273
CYH A 155
GLU A 167
1.51A21.62
None
GOL  A 508 (-4.9A)
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.
6MN5_B_LLLB301_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE, AAC(3)-IVA)		6ym0 HEAVY CHAIN
LIGHT CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 7
ASP E 389
TYR L  55
GLU L  61
ASP H 107
1.71A18.97
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.
6MN5_E_LLLE301_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE, AAC(3)-IVA)		6ym0 HEAVY CHAIN
LIGHT CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 7
ASP E 389
TYR L  55
GLU L  61
ASP H 107
1.56A18.97
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.
6MN5_C_LLLC301_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE, AAC(3)-IVA)		6ym0 HEAVY CHAIN
LIGHT CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 6
ASP E 389
TYR L  55
GLU L  61
ASP H 107
1.68A18.97
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.
6MN5_A_LLLA301_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE, AAC(3)-IVA)		6ym0 HEAVY CHAIN
LIGHT CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 6
ASP E 389
TYR L  55
GLU L  61
ASP H 107
1.70A18.97
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.
6MN5_F_LLLF301_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE, AAC(3)-IVA)		6ym0 HEAVY CHAIN
LIGHT CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 5
ASP E 389
TYR L  55
GLU L  61
ASP H 107
1.59A18.97
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.
6MN5_C_LLLC301_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE, AAC(3)-IVA)		6ynq REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 6
ASP A 295
GLU A 290
ASP A 289
GLU A 240
1.74A23.97
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.
6MN5_B_LLLB301_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE, AAC(3)-IVA)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 7
ASP B 145
ARG B 141
GLU A  25
ASP A  22
1.56A21.07
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.
6MN5_D_LLLD301_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE, AAC(3)-IVA)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 6
ASP B 145
ARG B 141
GLU A  25
ASP A  22
1.61A21.07
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.
6MN5_C_LLLC301_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE, AAC(3)-IVA)		7bqy MAIN PROTEASE
(SARS-CoV-2)		4 / 6
ASP A 295
GLU A 290
ASP A 289
GLU A 240
1.73A23.97
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.
6MN1_A_LLLA302_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE)		7btf NSP8
(SARS-CoV-2)		5 / 10
ASP B 143
GLY B 144
ASP B 134
THR B 137
SER B 173
1.46A21.76
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.
6MN1_B_LLLB302_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE)		7btf NSP8
(SARS-CoV-2)		5 / 10
ASP B 143
GLY B 144
ASP B 134
THR B 137
SER B 173
1.51A
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.
6MN5_C_LLLC301_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE, AAC(3)-IVA)		7buy VIRUS MAIN PROTEASE
(SARS-CoV-2)		4 / 6
ASP A 295
GLU A 290
ASP A 289
GLU A 240
1.73A23.97
DMS  A 406 ( 4.7A)
None
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.
6MN1_B_LLLB302_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE)		7bv2 NSP8
(SARS-CoV-2)		5 / 10
ASP B 143
GLY B 144
ASP B 134
THR B 137
SER B 173
1.31A
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.
6MN5_B_LLLB301_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE, AAC(3)-IVA)		7bv2 NSP12
(SARS-CoV-2)		4 / 7
ASP A 303
ARG A 305
GLU A 474
CYH A 730
1.71A13.09
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.
6MN1_A_LLLA302_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE)		7bv2 NSP8
(SARS-CoV-2)		5 / 10
ASP B 143
GLY B 144
ASP B 134
THR B 137
SER B 173
1.30A20.74
None