Ligand ID: CSC


Drugbank ID:
DB03313
(Cephalosporin C)


Indication:

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

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'CSC' 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.
2VAV_H_CSCH1383_1
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		6m71 NSP12
(SARS-CoV-2)		5 / 12
LEU A 775
TYR A 748
TYR A 479
HIS A 752
VAL A 609
1.78A19.22
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.
2VAX_K_CSCK1385_1
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		6m71 NSP12
(SARS-CoV-2)		5 / 12
LEU A 775
TYR A 748
TYR A 479
HIS A 752
VAL A 609
1.73A19.22
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.
2VAV_D_CSCD1383_1
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		6m71 NSP12
(SARS-CoV-2)		5 / 12
LEU A 775
TYR A 748
TYR A 479
HIS A 752
VAL A 609
1.79A19.22
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.
2VAV_H_CSCH1383_1
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		6m71 NSP12
(SARS-CoV-2)		5 / 12
THR A 538
ARG A 654
PHE A 348
ASP A 684
VAL A 560
1.66A19.22
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.
2VAV_C_CSCC1383_1
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		6m71 NSP12
(SARS-CoV-2)		5 / 12
LEU A 775
TYR A 748
TYR A 479
HIS A 752
VAL A 609
1.78A19.22
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.
2VAV_F_CSCF1383_1
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		6m71 NSP12
(SARS-CoV-2)		5 / 12
THR A 538
ARG A 654
PHE A 348
ASP A 684
VAL A 560
1.63A19.22
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.
2VAX_H_CSCH1383_1
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		6m71 NSP12
(SARS-CoV-2)		5 / 12
LEU A 775
TYR A 748
TYR A 479
HIS A 752
VAL A 609
1.72A19.22
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.
2VAX_D_CSCD1383_1
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		6m71 NSP12
(SARS-CoV-2)		5 / 12
LEU A 775
TYR A 748
TYR A 479
HIS A 752
VAL A 609
1.75A19.22
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.
2VAV_F_CSCF1383_2
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		6vsb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		3 / 3
LEU C 877
MET C1029
MET C 902
1.74A16.60
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.
2VAV_J_CSCJ1385_1
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		6vyb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
THR A1009
LEU A1012
ARG A1014
GLN A 954
VAL B1008
1.79A16.20
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.
2VAV_F_CSCF1383_2
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		6vyb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		3 / 3
LEU A 877
MET A1029
MET A 902
1.62A16.20
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.
4KOY_A_CSCA214_1
(UNCHARACTERIZED
PROTEIN)		6w41 CR3022 FAB HEAVY
CHAIN
CR3022 FAB LIGHT
CHAIN
SPIKE PROTEIN S1
(Homo
sapiens;
SARS-CoV-2)		5 / 11
PRO C 384
GLY H  95
MET H 100
ILE H  50
TYR L  96
1.52A21.43
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.
4KOY_A_CSCA214_1
(UNCHARACTERIZED
PROTEIN)		6w41 CR3022 FAB HEAVY
CHAIN
CR3022 FAB LIGHT
CHAIN
SPIKE PROTEIN S1
(Homo
sapiens;
SARS-CoV-2)		5 / 11
PRO C 384
GLY H  94
MET H 100
ILE H  50
TYR L  96
1.46A21.43
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.
4KOY_A_CSCA214_1
(UNCHARACTERIZED
PROTEIN)		6w4h NSP16
(SARS-CoV-2)		5 / 11
CYH A7007
GLY A6963
ASN A7008
ILE A6925
LEU A6981
1.61A19.61
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.
4KOY_A_CSCA214_1
(UNCHARACTERIZED
PROTEIN)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 11
CYH A7007
GLY A6963
ASN A7008
ILE A6925
LEU A6981
1.61A
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.
2VAV_J_CSCJ1385_1
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 12
THR A6908
LEU A6909
ASP A6900
PHE A6901
VAL A6902
1.66A
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.
2VAV_F_CSCF1383_2
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		3 / 3
LEU C 353
MET D 322
MET D 317
1.54A13.32
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.
2VAV_F_CSCF1383_2
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		3 / 3
LEU D 353
MET C 322
MET C 317
1.63A13.32
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.
2VAV_F_CSCF1383_2
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		3 / 3
LEU B 353
MET A 322
MET A 317
1.63A13.32
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.
2VAV_F_CSCF1383_2
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		3 / 3
LEU A 353
MET B 322
MET B 317
1.68A13.32
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.
2VAV_F_CSCF1383_2
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		3 / 3
LEU F 353
MET E 322
MET E 317
1.61A13.32
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.
2VAV_F_CSCF1383_2
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		3 / 3
LEU E 353
MET F 322
MET F 317
1.64A13.32
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.
4KOY_A_CSCA214_1
(UNCHARACTERIZED
PROTEIN)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 11
CYH A7007
GLY A6963
ASN A7008
ILE A6925
LEU A6981
1.62A
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.
4KOY_A_CSCA214_1
(UNCHARACTERIZED
PROTEIN)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 11
CYH C7007
GLY C6963
ASN C7008
ILE C6925
LEU C6981
1.74A
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.
4KOY_A_CSCA214_1
(UNCHARACTERIZED
PROTEIN)		6wkq NSP16
(SARS-CoV-2)		5 / 11
CYH A7007
GLY A6963
ASN A7008
ILE A6925
LEU A6981
1.73A
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.
4KOY_A_CSCA214_1
(UNCHARACTERIZED
PROTEIN)		6wq3 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 11
CYH A7007
GLY A6963
ASN A7008
ILE A6925
LEU A6981
1.63A
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.
2VAV_J_CSCJ1385_1
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		6wq3 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 12
THR A6908
LEU A6909
ASP A6900
PHE A6901
VAL A6902
1.62A
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.
4KOY_A_CSCA214_1
(UNCHARACTERIZED
PROTEIN)		6yla HEAVY CHAIN
LIGHT CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		5 / 11
PRO E 384
GLY H  99
MET H 106
ILE H  50
TYR L 102
1.64A
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.
4KOY_A_CSCA214_1
(UNCHARACTERIZED
PROTEIN)		6yla HEAVY CHAIN
LIGHT CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		5 / 11
PRO A 384
GLY B  98
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.
4KOY_A_CSCA214_1
(UNCHARACTERIZED
PROTEIN)		6yla HEAVY CHAIN
LIGHT CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		5 / 11
PRO A 384
GLY B  99
MET B 106
ILE B  50
TYR C 102
1.62A
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.
4KOY_A_CSCA214_1
(UNCHARACTERIZED
PROTEIN)		6ym0 HEAVY CHAIN
LIGHT CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		5 / 11
PRO E 384
GLY H  98
MET H 106
ILE H  50
TYR L 102
1.54A
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.
4KOY_A_CSCA214_1
(UNCHARACTERIZED
PROTEIN)		6ym0 HEAVY CHAIN
LIGHT CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		5 / 11
PRO E 384
GLY H  99
MET H 106
ILE H  50
TYR L 102
1.65A
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.
4KOY_A_CSCA214_1
(UNCHARACTERIZED
PROTEIN)		6yor IGG H CHAIN
IGG L CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		5 / 11
PRO E 384
GLY H  99
MET H 106
ILE H  50
TYR L 102
1.65A
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.
4KOY_A_CSCA214_1
(UNCHARACTERIZED
PROTEIN)		6yor IGG H CHAIN
IGG L CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		5 / 11
PRO A 384
GLY B  99
MET B 106
ILE B  50
TYR C 102
1.64A
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.
2VAX_H_CSCH1383_1
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		7btf NSP12
(SARS-CoV-2)		5 / 12
THR A  24
ARG A  74
TYR A  80
PHE A  56
VAL A  11
1.73A19.22
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.
2VAV_C_CSCC1383_1
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		7btf NSP12
(SARS-CoV-2)		5 / 12
LEU A 775
TYR A 748
TYR A 479
HIS A 752
VAL A 609
1.80A19.22
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.
2VAX_B_CSCB1384_1
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		7btf NSP12
(SARS-CoV-2)		5 / 12
THR A  24
ARG A  74
TYR A  80
PHE A  56
VAL A  11
1.73A19.22
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.
2VAX_L_CSCL1383_1
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		7btf NSP12
(SARS-CoV-2)		5 / 12
THR A  24
ARG A  74
TYR A  80
PHE A  56
VAL A  11
1.75A19.22
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.
2VAX_D_CSCD1383_1
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		7btf NSP12
(SARS-CoV-2)		5 / 12
LEU A 775
TYR A 748
TYR A 479
HIS A 752
VAL A 609
1.77A19.22
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.
2VAX_K_CSCK1385_1
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		7btf NSP12
(SARS-CoV-2)		5 / 12
LEU A 775
TYR A 748
TYR A 479
HIS A 752
VAL A 609
1.74A19.22
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.
2VAX_H_CSCH1383_1
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		7btf NSP12
(SARS-CoV-2)		5 / 12
LEU A 775
TYR A 748
TYR A 479
HIS A 752
VAL A 609
1.74A19.22
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.
2VAV_F_CSCF1383_1
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		7btf NSP12
(SARS-CoV-2)		5 / 12
THR A  24
ARG A  74
TYR A  80
PHE A  56
VAL A  11
1.70A19.22
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.
2VAX_I_CSCI1384_1
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		7btf NSP12
(SARS-CoV-2)		5 / 12
THR A  24
ARG A  74
TYR A  80
PHE A  56
VAL A  11
1.75A19.22
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.
2VAX_I_CSCI1384_1
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		7bv2 NSP12
(SARS-CoV-2)		5 / 12
LEU A 775
TYR A 748
TYR A 479
HIS A 752
VAL A 609
1.73A19.33
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.
2VAX_K_CSCK1385_1
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		7bv2 NSP12
(SARS-CoV-2)		5 / 12
LEU A 775
TYR A 748
TYR A 479
HIS A 752
VAL A 609
1.74A19.33
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.
2VAX_H_CSCH1383_1
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		7bv2 NSP12
(SARS-CoV-2)		5 / 12
LEU A 775
TYR A 748
TYR A 479
HIS A 752
VAL A 609
1.73A19.33
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.
2VAX_D_CSCD1383_1
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		7bv2 NSP12
(SARS-CoV-2)		5 / 12
LEU A 775
TYR A 748
TYR A 479
HIS A 752
VAL A 609
1.77A19.33
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.
2VAX_B_CSCB1384_1
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		7bv2 NSP12
(SARS-CoV-2)		5 / 12
LEU A 775
TYR A 748
TYR A 479
HIS A 752
VAL A 609
1.72A19.33
None