Ligand ID: 4KO


Drugbank ID:
DB00274
(Cefmetazole)


Indication:
For the treatment of infections caused by susceptible organisms.

Get human targets for 4KO in PDB (known and potential targets)

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND '4KO' 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.
4KOS_A_4KOA201_1
(UNCHARACTERIZED
PROTEIN)		6vsb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
PRO B1090
TYR C 917
ASN C 914
ILE B1132
PHE B1095
1.64A7.92
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.
4KOS_A_4KOA201_1
(UNCHARACTERIZED
PROTEIN)		6vxx SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
PRO C1090
TYR A 917
ASN A 914
ILE C1132
PHE C1095
1.73A8.63
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.
4KOS_A_4KOA201_1
(UNCHARACTERIZED
PROTEIN)		6vyb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
PRO B1090
TYR C 917
ASN C 914
ILE B1132
PHE B1095
1.71A8.63
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.
4KOS_A_4KOA201_1
(UNCHARACTERIZED
PROTEIN)		6w41 CR3022 FAB HEAVY
CHAIN
CR3022 FAB LIGHT
CHAIN
SPIKE PROTEIN S1
(Homo
sapiens;
SARS-CoV-2)		5 / 12
PRO C 384
GLY H  95
MET H 100
ILE H  50
TYR L  96
1.43A21.43
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.
4KOS_A_4KOA201_1
(UNCHARACTERIZED
PROTEIN)		6w41 CR3022 FAB HEAVY
CHAIN
CR3022 FAB LIGHT
CHAIN
SPIKE PROTEIN S1
(Homo
sapiens;
SARS-CoV-2)		5 / 12
PRO C 384
GLY H  94
MET H 100
ILE H  50
TYR L  96
1.42A21.43
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.
4KOS_A_4KOA201_1
(UNCHARACTERIZED
PROTEIN)		6w4h NSP16
(SARS-CoV-2)		5 / 12
CYH A7007
GLY A6963
ASN A7008
ILE A6925
LEU A6981
1.56A19.61
BDF  A7105 ( 3.8A)
None
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.
4KOS_A_4KOA201_1
(UNCHARACTERIZED
PROTEIN)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 12
CYH A7007
GLY A6963
ASN A7008
ILE A6925
LEU A6981
1.57A
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.
4KOS_A_4KOA201_1
(UNCHARACTERIZED
PROTEIN)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 12
CYH A7007
GLY A6963
ASN A7008
ILE A6925
LEU A6981
1.58A
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.
4KOS_A_4KOA201_1
(UNCHARACTERIZED
PROTEIN)		6wkq NSP16
(SARS-CoV-2)		5 / 12
CYH A7007
GLY A6963
ASN A7008
ILE A6925
LEU A6981
1.69A
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.
4KOS_A_4KOA201_1
(UNCHARACTERIZED
PROTEIN)		6wq3 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 12
CYH A7007
GLY A6963
ASN A7008
ILE A6925
LEU A6981
1.59A
8NK  A7103 ( 3.7A)
None
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.
4KOS_A_4KOA201_1
(UNCHARACTERIZED
PROTEIN)		6yla HEAVY CHAIN
LIGHT CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		5 / 12
PRO A 384
GLY B  99
MET B 106
ILE B  50
TYR C 102
1.53A
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.
4KOS_A_4KOA201_1
(UNCHARACTERIZED
PROTEIN)		6yla HEAVY CHAIN
LIGHT CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		5 / 12
PRO E 384
GLY H  99
MET H 106
ILE H  50
TYR L 102
1.56A
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.
4KOS_A_4KOA201_1
(UNCHARACTERIZED
PROTEIN)		6yla HEAVY CHAIN
LIGHT CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		5 / 12
PRO A 384
GLY B  98
MET B 106
ILE B  50
TYR C 102
1.50A
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.
4KOS_A_4KOA201_1
(UNCHARACTERIZED
PROTEIN)		6ym0 HEAVY CHAIN
LIGHT CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		5 / 12
PRO E 384
GLY H  98
MET H 106
ILE H  50
TYR L 102
1.49A
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.
4KOS_A_4KOA201_1
(UNCHARACTERIZED
PROTEIN)		6ym0 HEAVY CHAIN
LIGHT CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		5 / 12
PRO E 384
GLY H  99
MET H 106
ILE H  50
TYR L 102
1.55A
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.
4KOS_A_4KOA201_1
(UNCHARACTERIZED
PROTEIN)		6yor IGG H CHAIN
IGG L CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		5 / 12
PRO E 384
GLY H  99
MET H 106
ILE H  50
TYR L 102
1.57A
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.
4KOS_A_4KOA201_1
(UNCHARACTERIZED
PROTEIN)		6yor IGG H CHAIN
IGG L CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		5 / 12
PRO A 384
GLY B  99
MET B 106
ILE B  50
TYR C 102
1.56A
None