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-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.
6MN5_D_LLLD301_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE, AAC(3)-IVA)		1x7q BETA-2-MICROGLOBULIN
(Homo
sapiens)		4 / 6
ASP B  98
ARG B  97
GLU B  74
GLU B  16
1.77A15.00
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)		2dd8 IGG HEAVY CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARSr-CoV)		5 / 10
ASP S 429
GLY S 434
ASP H  95
THR H  33
THR S 485
1.46A18.73
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)		2fe8 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 7
ARG C 285
TYR C 297
GLU C 264
CYH C 112
1.66A23.12
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.
6MN5_B_LLLB301_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE, AAC(3)-IVA)		2ozk URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		4 / 7
ASP A 296
GLU A 210
ASP A 300
GLU A 304
1.58A19.72
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)		2ozk URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		5 / 10
ASP A 239
GLY A 247
ASP C 323
THR C 274
SER C 328
1.76A21.01
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)		2rhb URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		4 / 7
ASP B 296
GLU B 210
ASP B 300
GLU B 304
1.56A20.17
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.
3HAM_B_LLLB500_1
(AMINOGLYCOSIDE
PHOSPHOTRANSFERASE)		2rhb URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		5 / 11
ASP A 199
ASP A 202
SER A 273
ASP A 272
ARG A 206
1.52A21.47
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.
6MN5_B_LLLB301_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE, AAC(3)-IVA)		3ea8 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 7
ASP A 295
GLU A 288
ASP A 289
GLU A 240
1.34A24.05
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)		3ea9 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 7
ASP A 295
GLU A 288
ASP A 289
GLU A 240
1.31A24.05
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)		3ebn REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 7
ASP A 295
GLU A 290
ASP A 289
GLU A 240
1.66A17.31
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.
6MN1_A_LLLA302_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE)		3f9f 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 10
GLY B 278
ASP A 289
THR A 199
THR B 285
SER B 284
1.69A24.15
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)		3f9f 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 7
ASP A 295
GLU A 290
ASP A 289
GLU A 240
1.80A23.82
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)		3f9g 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 10
GLY B 278
ASP A 289
THR A 199
THR B 285
SER B 284
1.73A23.84
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.
6MN5_D_LLLD301_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE, AAC(3)-IVA)		3i6g BETA-2-MICROGLOBULIN
(Homo
sapiens)		4 / 6
ASP B  98
ARG B  97
GLU B  74
GLU B  16
1.70A15.56
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)		3m3v 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 7
ASP B 295
GLU B 288
ASP B 289
GLU B 240
1.32A23.82
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.
3HAM_B_LLLB500_1
(AMINOGLYCOSIDE
PHOSPHOTRANSFERASE)		3sci ACE2
(Homo
sapiens)		5 / 11
ASP B 295
ASN B 290
ASP B 299
ASP B 367
ASP B 368
1.75A19.73
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.
3HAM_B_LLLB500_1
(AMINOGLYCOSIDE
PHOSPHOTRANSFERASE)		3sck ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 11
ASP B 295
ASN B 290
ASP B 299
ASP B 367
ASP B 368
1.74A19.67
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.
3HAM_A_LLLA500_1
(AMINOGLYCOSIDE
PHOSPHOTRANSFERASE)		3sck ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 12
ASP B 295
ASN B 290
ASP B 299
ASP B 367
ASP B 368
1.76A19.67
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.
6MN5_B_LLLB301_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE, AAC(3)-IVA)		4mm3 PAPAIN-LIKE
PROTEINASE
(SARSr-CoV)		4 / 7
ARG B 285
TYR B 297
GLU B 264
CYH B 112
1.61A23.15
None
None
None
GLZ  A  76 ( 1.7A)
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)		5c5o 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 7
ASP A 295
GLU A 288
ASP A 289
GLU A 240
1.32A24.05
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)		5e6j UBIQUITIN
(synthetic
construct)		4 / 6
ASP E  39
GLU E  24
ASP E  52
GLU E  51
1.65A15.89
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.
6MN5_A_LLLA301_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE, AAC(3)-IVA)		5e6j UBIQUITIN
(synthetic
construct)		4 / 6
ASP E  39
GLU E  24
ASP E  52
GLU E  51
1.70A15.89
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.
6MN5_B_LLLB301_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE, AAC(3)-IVA)		5e6j UBIQUITIN
(synthetic
construct)		4 / 7
ASP E  39
GLU E  24
ASP E  52
GLU E  51
1.64A15.89
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.
6MN5_B_LLLB301_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE, AAC(3)-IVA)		5tl7 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 7
ARG D 285
TYR D 297
GLU D 264
CYH D 112
1.68A22.87
None
None
None
AYE  C 155 (-1.6A)
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.
6MN5_B_LLLB301_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE, AAC(3)-IVA)		5x58 SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		4 / 7
ARG B 620
ASP B 277
CYH B 288
GLU B 285
1.76A10.98
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.
3HAM_A_LLLA500_1
(AMINOGLYCOSIDE
PHOSPHOTRANSFERASE)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		5 / 12
ASP C 719
SER C 717
ASN C 746
ASP B 600
SER B 582
1.61A13.28
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.
6MN1_A_LLLA302_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		5 / 10
ASP B 557
GLY A 739
ASP C 976
THR C 980
SER C 957
1.77A11.49
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)		5y3q REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		4 / 7
ARG A 285
TYR A 297
GLU A 264
CYH A 112
1.64A23.15
None
None
None
BME  A 402 (-2.0A)
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.
3HAM_A_LLLA500_1
(AMINOGLYCOSIDE
PHOSPHOTRANSFERASE)		6acg SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
ASP B  44
ASP C 554
SER C 556
ASP C 557
ASP C 560
1.69A14.26
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.
3HAM_B_LLLB500_1
(AMINOGLYCOSIDE
PHOSPHOTRANSFERASE)		6acg SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 11
ASP B  44
ASP C 554
SER C 556
ASP C 557
ASP C 560
1.69A14.26
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.
3HAM_A_LLLA500_1
(AMINOGLYCOSIDE
PHOSPHOTRANSFERASE)		6acg ACE2
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARSr-CoV)		5 / 12
SER D  44
ASP D  38
ASP D 350
ASP D 382
TYR C 491
1.71A19.73
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)		6acj ACE2
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARSr-CoV)		5 / 10
TYR C 436
ASP D  38
GLY C 482
THR C 431
SER C 432
1.70A13.39
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)		6ack SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 7
ASP B 849
ARG B 797
GLU B 801
ASP B 802
1.79A12.33
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.
6MN5_D_LLLD301_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE, AAC(3)-IVA)		6ack SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 6
ASP B 849
ARG B 797
GLU B 801
ASP B 802
1.74A12.33
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.
6MN1_A_LLLA302_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE)		6cs0 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 10
ASP A 719
GLY A 820
ASP A 757
THR A 716
SER A 717
1.56A13.50
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.
6MN5_A_LLLA301_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE, AAC(3)-IVA)		6cs0 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 6
ASP B 557
TYR C  53
ASP C  44
GLU C  45
1.56A11.25
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.
3HAM_A_LLLA500_1
(AMINOGLYCOSIDE
PHOSPHOTRANSFERASE)		6cs1 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
ASN C 838
ASP B 560
SER C 957
ASP C 961
ARG C  48
1.66A13.26
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.
3HAM_B_LLLB500_1
(AMINOGLYCOSIDE
PHOSPHOTRANSFERASE)		6cs1 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 11
ASN C 838
ASP B 560
SER C 957
ASP C 961
ARG C  48
1.72A13.26
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)		6cs2 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 6
ASP A 849
ARG A 797
GLU A 801
ASP A 802
1.55A11.25
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.
6MN5_B_LLLB301_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE, AAC(3)-IVA)		6cs2 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 7
ASP A 849
ARG A 797
GLU A 801
ASP A 802
1.68A11.25
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.
6MN1_A_LLLA302_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE)		6jyt HELICASE
(SARSr)		5 / 10
TYR A 120
ASP A 119
ASP B 119
GLY A 118
THR A 410
1.22A18.54
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.
6MN5_A_LLLA301_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE, AAC(3)-IVA)		6m1d SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		4 / 6
ASP A 189
TYR A 480
ASP A 564
GLU A 568
1.56A16.98
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)		6m1d SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		5 / 10
TYR C 231
GLY C  47
THR C 235
THR C 313
SER C 314
1.69A18.97
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.
3HAM_B_LLLB500_1
(AMINOGLYCOSIDE
PHOSPHOTRANSFERASE)		6m1d ACE2
(Homo
sapiens)		5 / 11
SER D 692
ASN D 690
ASP D 669
SER D 170
ASP D 499
1.79A15.79
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.
6MN5_B_LLLB301_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE, AAC(3)-IVA)		6m1d SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		4 / 7
ASP A 189
TYR A 480
ASP A 564
GLU A 568
1.29A16.98
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)		6nur NSP12
(SARSr-CoV)		4 / 7
ASP A 303
ARG A 305
GLU A 474
CYH A 730
1.70A13.95
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)		6y7m Replicase
polyprotein 1a
(SARSr-CoV)		4 / 7
ASP A 295
GLU A 288
ASP A 289
GLU A 240
1.31A24.05
None