Ligand ID: AKN


Drugbank ID:
DB00479
(Amikacin)


Indication:
For short-term treatment of serious infections due to susceptible strains of Gram-negative bacteria, including Pseudomonas species, Escherichia coli, species of indole-positive and indole-negative Proteus, Providencia species, Klebsiella-Enterobacter-Serratia species, and Acinetobacter (Mima-Herellea) species. Amikacin may also be used to treat Mycobacterium avium and Mycobacterium tuberculosis infections.

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

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'AKN' 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.
6CGD_A_AKNA600_1
(BIFUNCTIONAL AAC/APH)		1uj1 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 10
GLY A 302
ASP A 153
GLU B  14
VAL A  13
GLU A  14
1.80A18.40
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.
6CGD_D_AKND600_1
(BIFUNCTIONAL AAC/APH)		1uk3 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 11
ASP A 295
ASN A 203
GLU A 290
GLU A 288
TYR A 126
1.47A18.40
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.
6CGD_D_AKND600_1
(BIFUNCTIONAL AAC/APH)		2cme HYPOTHETICAL PROTEIN
5
(SARSr-CoV)		5 / 11
ASP E  63
SER E  64
ASN E  61
GLU B  87
GLU E  66
1.72A12.63
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.
6CGD_A_AKNA600_1
(BIFUNCTIONAL AAC/APH)		2fe8 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 10
GLY B 210
TYR A 269
ASP B 303
TYR B 274
GLU B 168
1.50A23.26
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.
6CGD_D_AKND600_1
(BIFUNCTIONAL AAC/APH)		3e91 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 11
ASP B 295
ASN B 203
GLU B 290
GLU B 288
TYR B 126
1.54A18.40
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.
6CGD_D_AKND600_1
(BIFUNCTIONAL AAC/APH)		3eaj 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 11
ASP B 295
ASN B 203
GLU B 290
GLU B 288
TYR B 126
1.50A18.10
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.
6CGD_D_AKND600_1
(BIFUNCTIONAL AAC/APH)		3ee7 REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		5 / 11
SER D  46
ASN D  27
HIS D  48
ASP D  50
TYR D  89
1.73A15.71
None
None
GOL  D 127 (-3.8A)
GOL  D 127 (-3.1A)
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.
6CGD_A_AKNA600_1
(BIFUNCTIONAL AAC/APH)		3scl ACE2
SPIKE GLYCOPROTEIN
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 10
GLY F 446
TYR F 408
TYR F 475
GLU B  35
GLU B  30
1.80A19.47
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.
6CGD_A_AKNA600_1
(BIFUNCTIONAL AAC/APH)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		5 / 10
GLY O  69
TYR D  51
GLU D 128
VAL D 125
GLU D 132
1.52A16.61
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.
6CGD_D_AKND600_1
(BIFUNCTIONAL AAC/APH)		5x5c S PROTEIN
(MERS-CoV)		5 / 11
SER B 583
ASN B 406
ASP B 580
TYR B 609
GLU B 376
1.57A12.54
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.
6CGD_A_AKNA600_1
(BIFUNCTIONAL AAC/APH)		5x5c S PROTEIN
(MERS-CoV)		5 / 10
GLY B 640
TYR B 641
ASP B 580
TYR C  58
VAL C 271
1.32A12.54
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.
6CGD_D_AKND600_1
(BIFUNCTIONAL AAC/APH)		6ack ACE2
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARSr-CoV)		5 / 11
ASN C 457
ASP C 480
TYR C 442
TYR C 475
GLU D  35
1.75A13.57
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.
6CGD_A_AKNA600_1
(BIFUNCTIONAL AAC/APH)		6ack ACE2
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARSr-CoV)		5 / 10
GLY C 488
TYR C 491
ASP D 350
TYR D 385
GLU D  37
1.63A13.57
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.
6CGD_A_AKNA600_1
(BIFUNCTIONAL AAC/APH)		6iex MHC CLASS I ANTIGEN
(Homo
sapiens;
SARSr-CoV)		5 / 10
GLY A 162
TYR A 159
TYR A 171
VAL A  34
GLU C   2
1.71A19.38
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.
6CGD_D_AKND600_1
(BIFUNCTIONAL AAC/APH)		6m1d ACE2
(Homo
sapiens)		5 / 11
ASP B 206
TYR B 207
GLU B 457
TYR B 515
GLU B 402
1.43A16.58
None