Ligand ID: L8P


Drugbank ID:
DB00369
(Cidofovir)


Indication:
For the treatment of CMV retinitis in patients with acquired immunodeficiency syndrome (AIDS)

Get human targets for L8P in PDB (known and potential targets)

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'L8P' 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.
5KM8_B_L8PB201_1
(HISTIDINE TRIAD
NUCLEOTIDE-BINDING
PROTEIN 2,
MITOCHONDRIAL)		5rfc 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 8
ALA A 116
SER A 139
HIS A 172
HIS A 163
1.60A22.67
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.
5KM8_B_L8PB201_1
(HISTIDINE TRIAD
NUCLEOTIDE-BINDING
PROTEIN 2,
MITOCHONDRIAL)		6lze VIRAL PROTEASE
(SARS-CoV-2)		4 / 8
ALA A 116
SER A 139
HIS A 172
HIS A 163
1.64A19.87

None
None
ELL  D   3 (-4.6A)
ELL  D   3 (-3.9A)
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.
5KM8_B_L8PB201_1
(HISTIDINE TRIAD
NUCLEOTIDE-BINDING
PROTEIN 2,
MITOCHONDRIAL)		6m0j ACE2
SPIKE RECEPTOR
BINDING DOMAIN
(Homo
sapiens;
SARS-CoV-2)		4 / 8
GLN E 498
ASN A  49
ALA A  46
SER A  44
1.34A20.91
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.
5KM8_B_L8PB201_1
(HISTIDINE TRIAD
NUCLEOTIDE-BINDING
PROTEIN 2,
MITOCHONDRIAL)		6m0k VIRAL PROTEASE
(SARS-CoV-2)		4 / 8
ALA A 116
SER A 139
HIS A 172
HIS A 163
1.66A20.26

None
None
ELL  D   3 (-4.5A)
ELL  D   3 (-3.9A)
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.
5KM8_B_L8PB201_1
(HISTIDINE TRIAD
NUCLEOTIDE-BINDING
PROTEIN 2,
MITOCHONDRIAL)		6m17 ACE2
RECEPTOR BINDING
DOMAIN
(Homo
sapiens;
SARS-CoV-2)		4 / 8
GLN E 498
ASN B  49
ALA B  46
SER B  44
1.46A20.91
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.
5KM8_B_L8PB201_1
(HISTIDINE TRIAD
NUCLEOTIDE-BINDING
PROTEIN 2,
MITOCHONDRIAL)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 8
ALA A 116
SER A 139
HIS A 172
HIS A 163
1.61A20.26

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.
5KM8_B_L8PB201_1
(HISTIDINE TRIAD
NUCLEOTIDE-BINDING
PROTEIN 2,
MITOCHONDRIAL)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 8
ALA B 116
SER B 139
HIS B 172
HIS B 163
1.61A20.26

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.
5KM8_B_L8PB201_1
(HISTIDINE TRIAD
NUCLEOTIDE-BINDING
PROTEIN 2,
MITOCHONDRIAL)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 8
ALA C 116
SER C 139
HIS C 172
HIS C 163
1.60A20.26

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.
5KM8_B_L8PB201_1
(HISTIDINE TRIAD
NUCLEOTIDE-BINDING
PROTEIN 2,
MITOCHONDRIAL)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 8
ALA D 116
SER D 139
HIS D 172
HIS D 163
1.61A20.26

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.
5KM8_B_L8PB201_1
(HISTIDINE TRIAD
NUCLEOTIDE-BINDING
PROTEIN 2,
MITOCHONDRIAL)		6m2q 3CL PROTEASE
(SARS-CoV-2)		4 / 8
ALA A 116
SER A 139
HIS A 172
HIS A 163
1.61A20.26

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.
5KM8_B_L8PB201_1
(HISTIDINE TRIAD
NUCLEOTIDE-BINDING
PROTEIN 2,
MITOCHONDRIAL)		6m71 NSP12
(SARS-CoV-2)		4 / 8
ASN A 705
ALA A 702
SER A 784
HIS A 133
1.64A10.33

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.
5KM8_B_L8PB201_1
(HISTIDINE TRIAD
NUCLEOTIDE-BINDING
PROTEIN 2,
MITOCHONDRIAL)		6m71 NSP12
(SARS-CoV-2)		4 / 8
GLN A 357
ASN A 657
ALA A 656
GLN A 661
1.60A10.33

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.
5KM8_B_L8PB201_1
(HISTIDINE TRIAD
NUCLEOTIDE-BINDING
PROTEIN 2,
MITOCHONDRIAL)		6m71 NSP12
(SARS-CoV-2)		4 / 8
GLN A 698
ASN A 781
ALA A 777
HIS A 133
1.77A10.33

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.
5KM8_B_L8PB201_1
(HISTIDINE TRIAD
NUCLEOTIDE-BINDING
PROTEIN 2,
MITOCHONDRIAL)		6vsb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 8
GLN C 774
ASN C1023
ALA C1020
SER C1021
1.35A7.17
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.
5KM8_B_L8PB201_1
(HISTIDINE TRIAD
NUCLEOTIDE-BINDING
PROTEIN 2,
MITOCHONDRIAL)		6vxs NSP3
(SARS-CoV-2)		5 / 8
ASN A  54
ALA A  60
GLN A  62
SER A  65
HIS A  45
1.78A
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.
5KM8_B_L8PB201_1
(HISTIDINE TRIAD
NUCLEOTIDE-BINDING
PROTEIN 2,
MITOCHONDRIAL)		6vxs NSP3
(SARS-CoV-2)		5 / 8
ASN B  54
ALA B  60
GLN B  62
SER B  65
HIS B  45
1.78A
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.
5KM8_B_L8PB201_1
(HISTIDINE TRIAD
NUCLEOTIDE-BINDING
PROTEIN 2,
MITOCHONDRIAL)		6vxx SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 8
GLN A 774
ASN A1023
ALA A1020
SER A1021
1.36A8.20
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.
5KM8_B_L8PB201_1
(HISTIDINE TRIAD
NUCLEOTIDE-BINDING
PROTEIN 2,
MITOCHONDRIAL)		6vyb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 8
GLN B 774
ASN B1023
ALA B1020
SER B1021
1.35A8.20
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.
5KM8_B_L8PB201_1
(HISTIDINE TRIAD
NUCLEOTIDE-BINDING
PROTEIN 2,
MITOCHONDRIAL)		6vyo NUCLEOPROTEIN
(SARS-CoV-2)		4 / 8
GLN B  58
ASN C  77
ALA B 173
HIS B  59
1.34A23.03
None
MES  B 203 (-3.9A)
None
ZN  C 201 ( 3.1A)
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.
5KM8_B_L8PB201_1
(HISTIDINE TRIAD
NUCLEOTIDE-BINDING
PROTEIN 2,
MITOCHONDRIAL)		6w02 NSP3
(SARS-CoV-2)		5 / 8
ASN B  54
ALA B  60
GLN B  62
SER B  65
HIS B  45
1.72A21.71
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.
5KM8_B_L8PB201_1
(HISTIDINE TRIAD
NUCLEOTIDE-BINDING
PROTEIN 2,
MITOCHONDRIAL)		6w63 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 8
ALA A 116
SER A 139
HIS A 172
HIS A 163
1.68A
None
None
X77  A 401 ( 4.6A)
X77  A 401 (-4.1A)
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.
5KM8_B_L8PB201_1
(HISTIDINE TRIAD
NUCLEOTIDE-BINDING
PROTEIN 2,
MITOCHONDRIAL)		6w6y NSP3
(SARS-CoV-2)		5 / 8
ASN A  54
ALA A  60
GLN A  62
SER A  65
HIS A  45
1.76A21.34
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.
5KM8_B_L8PB201_1
(HISTIDINE TRIAD
NUCLEOTIDE-BINDING
PROTEIN 2,
MITOCHONDRIAL)		6w6y NSP3
(SARS-CoV-2)		5 / 8
ASN B  54
ALA B  60
GLN B  62
SER B  65
HIS B  45
1.76A21.34
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.
5KM8_B_L8PB201_1
(HISTIDINE TRIAD
NUCLEOTIDE-BINDING
PROTEIN 2,
MITOCHONDRIAL)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		4 / 8
GLN A 133
ASN A 128
ALA A 176
HIS A  73
1.70A
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.
5KM8_B_L8PB201_1
(HISTIDINE TRIAD
NUCLEOTIDE-BINDING
PROTEIN 2,
MITOCHONDRIAL)		6wcf NSP3
(SARS-CoV-2)		5 / 8
ASN A  54
ALA A  60
GLN A  62
SER A  65
HIS A  45
1.76A
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.
5KM8_B_L8PB201_1
(HISTIDINE TRIAD
NUCLEOTIDE-BINDING
PROTEIN 2,
MITOCHONDRIAL)		6wen NSP3
(SARS-CoV-2)		5 / 8
ASN A  54
ALA A  60
GLN A  62
SER A  65
HIS A  45
1.76A
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.
5KM8_B_L8PB201_1
(HISTIDINE TRIAD
NUCLEOTIDE-BINDING
PROTEIN 2,
MITOCHONDRIAL)		6wey NSP3
(SARS-CoV-2)		5 / 8
ASN A 258
ALA A 264
GLN A 266
SER A 269
HIS A 249
1.76A
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.
5KM8_B_L8PB201_1
(HISTIDINE TRIAD
NUCLEOTIDE-BINDING
PROTEIN 2,
MITOCHONDRIAL)		6wnp 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 8
ALA A 116
SER A 139
HIS A 172
HIS A 163
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.
5KM8_B_L8PB201_1
(HISTIDINE TRIAD
NUCLEOTIDE-BINDING
PROTEIN 2,
MITOCHONDRIAL)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 8
ASN C  54
ALA C  60
GLN C  62
SER C  65
HIS C  45
1.75A
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.
5KM8_B_L8PB201_1
(HISTIDINE TRIAD
NUCLEOTIDE-BINDING
PROTEIN 2,
MITOCHONDRIAL)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 8
ASN D  54
ALA D  60
GLN D  62
SER D  65
HIS D  45
1.78A
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.
5KM8_B_L8PB201_1
(HISTIDINE TRIAD
NUCLEOTIDE-BINDING
PROTEIN 2,
MITOCHONDRIAL)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 8
ASN B  54
ALA B  60
GLN B  62
SER B  65
HIS B  45
1.78A
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.
5KM8_B_L8PB201_1
(HISTIDINE TRIAD
NUCLEOTIDE-BINDING
PROTEIN 2,
MITOCHONDRIAL)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 8
ASN A  54
ALA A  60
GLN A  62
SER A  65
HIS A  45
1.75A
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.
5KM8_B_L8PB201_1
(HISTIDINE TRIAD
NUCLEOTIDE-BINDING
PROTEIN 2,
MITOCHONDRIAL)		6wqf 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 8
ALA A 116
SER A 139
HIS A 172
HIS A 163
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.
5KM8_B_L8PB201_1
(HISTIDINE TRIAD
NUCLEOTIDE-BINDING
PROTEIN 2,
MITOCHONDRIAL)		6yb7 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
ALA A 116
SER A 139
HIS A 172
HIS A 163
1.60A23.26
None
None
DMS  A 405 ( 4.8A)
DMS  A 405 (-3.9A)
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.
5KM8_B_L8PB201_1
(HISTIDINE TRIAD
NUCLEOTIDE-BINDING
PROTEIN 2,
MITOCHONDRIAL)		6ynq REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
ALA A 116
SER A 139
HIS A 172
HIS A 163
1.65A
None
None
None
P6N  A 502 (-3.8A)
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.
5KM8_B_L8PB201_1
(HISTIDINE TRIAD
NUCLEOTIDE-BINDING
PROTEIN 2,
MITOCHONDRIAL)		6yt8 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
ALA A 116
SER A 139
HIS A 172
HIS A 163
1.58A
None
None
None
DMS  A 403 (-4.1A)
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.
5KM8_B_L8PB201_1
(HISTIDINE TRIAD
NUCLEOTIDE-BINDING
PROTEIN 2,
MITOCHONDRIAL)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 8
ASN C  54
ALA C  60
GLN C  62
SER C  65
HIS C  45
1.78A
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.
5KM8_B_L8PB201_1
(HISTIDINE TRIAD
NUCLEOTIDE-BINDING
PROTEIN 2,
MITOCHONDRIAL)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 8
ASN B  54
ALA B  60
GLN B  62
SER B  65
HIS B  45
1.78A
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.
5KM8_B_L8PB201_1
(HISTIDINE TRIAD
NUCLEOTIDE-BINDING
PROTEIN 2,
MITOCHONDRIAL)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 8
ASN A  54
ALA A  60
GLN A  62
SER A  65
HIS A  45
1.77A
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.
5KM8_B_L8PB201_1
(HISTIDINE TRIAD
NUCLEOTIDE-BINDING
PROTEIN 2,
MITOCHONDRIAL)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 8
ASN D  54
ALA D  60
GLN D  62
SER D  65
HIS D  45
1.77A
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.
5KM8_B_L8PB201_1
(HISTIDINE TRIAD
NUCLEOTIDE-BINDING
PROTEIN 2,
MITOCHONDRIAL)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 8
ASN E  54
ALA E  60
GLN E  62
SER E  65
HIS E  45
1.78A
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.
5KM8_B_L8PB201_1
(HISTIDINE TRIAD
NUCLEOTIDE-BINDING
PROTEIN 2,
MITOCHONDRIAL)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 8
ASN B  54
ALA B  60
GLN B  62
SER B  65
HIS B  45
1.74A
None
None
EDO  B 202 (-4.2A)
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.
5KM8_B_L8PB201_1
(HISTIDINE TRIAD
NUCLEOTIDE-BINDING
PROTEIN 2,
MITOCHONDRIAL)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 8
ASN C  54
ALA C  60
GLN C  62
SER C  65
HIS C  45
1.73A
None
EDO  D 204 ( 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.
5KM8_B_L8PB201_1
(HISTIDINE TRIAD
NUCLEOTIDE-BINDING
PROTEIN 2,
MITOCHONDRIAL)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 8
ASN E  54
ALA E  60
GLN E  62
SER E  65
HIS E  45
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.
5KM8_B_L8PB201_1
(HISTIDINE TRIAD
NUCLEOTIDE-BINDING
PROTEIN 2,
MITOCHONDRIAL)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 8
ASN A  54
ALA A  60
GLN A  62
SER A  65
HIS A  45
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.
5KM8_B_L8PB201_1
(HISTIDINE TRIAD
NUCLEOTIDE-BINDING
PROTEIN 2,
MITOCHONDRIAL)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 8
ASN D  54
ALA D  60
GLN D  62
SER D  65
HIS D  45
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.
5KM8_B_L8PB201_1
(HISTIDINE TRIAD
NUCLEOTIDE-BINDING
PROTEIN 2,
MITOCHONDRIAL)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 8
ASN B  54
ALA B  60
GLN B  62
SER B  65
HIS B  45
1.77A
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.
5KM8_B_L8PB201_1
(HISTIDINE TRIAD
NUCLEOTIDE-BINDING
PROTEIN 2,
MITOCHONDRIAL)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 8
ASN C  54
ALA C  60
GLN C  62
SER C  65
HIS C  45
1.77A
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.
5KM8_B_L8PB201_1
(HISTIDINE TRIAD
NUCLEOTIDE-BINDING
PROTEIN 2,
MITOCHONDRIAL)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 8
ASN A  54
ALA A  60
GLN A  62
SER A  65
HIS A  45
1.76A
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.
5KM8_B_L8PB201_1
(HISTIDINE TRIAD
NUCLEOTIDE-BINDING
PROTEIN 2,
MITOCHONDRIAL)		7bqy MAIN PROTEASE
(SARS-CoV-2)		4 / 8
ALA A 116
SER A 139
HIS A 172
HIS A 163
1.64A
None
None
PJE  C   5 (-4.4A)
PJE  C   5 (-3.8A)
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.
5KM8_B_L8PB201_1
(HISTIDINE TRIAD
NUCLEOTIDE-BINDING
PROTEIN 2,
MITOCHONDRIAL)		7btf NSP12
(SARS-CoV-2)		4 / 8
GLN A 698
ASN A 691
ALA A 690
SER A 692
1.71A
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.
5KM8_B_L8PB201_1
(HISTIDINE TRIAD
NUCLEOTIDE-BINDING
PROTEIN 2,
MITOCHONDRIAL)		7btf NSP12
(SARS-CoV-2)		4 / 8
GLN A 357
ASN A 657
ALA A 656
GLN A 661
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.
5KM8_B_L8PB201_1
(HISTIDINE TRIAD
NUCLEOTIDE-BINDING
PROTEIN 2,
MITOCHONDRIAL)		7btf NSP12
(SARS-CoV-2)		4 / 8
ASN A 705
ALA A 702
SER A 784
HIS A 133
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.
5KM8_B_L8PB201_1
(HISTIDINE TRIAD
NUCLEOTIDE-BINDING
PROTEIN 2,
MITOCHONDRIAL)		7buy VIRUS MAIN PROTEASE
(SARS-CoV-2)		4 / 8
ALA A 116
SER A 139
HIS A 172
HIS A 163
1.67A
None
None
DMS  A 402 (-4.4A)
DMS  A 402 (-3.9A)
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.
5KM8_B_L8PB201_1
(HISTIDINE TRIAD
NUCLEOTIDE-BINDING
PROTEIN 2,
MITOCHONDRIAL)		7bv1 NSP12
(SARS-CoV-2)		4 / 8
GLN A 698
ASN A 691
ALA A 690
SER A 692
1.71A
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.
5KM8_B_L8PB201_1
(HISTIDINE TRIAD
NUCLEOTIDE-BINDING
PROTEIN 2,
MITOCHONDRIAL)		7bv1 NSP12
(SARS-CoV-2)		4 / 8
GLN A 357
ASN A 657
ALA A 656
GLN A 661
1.60A
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.
5KM8_B_L8PB201_1
(HISTIDINE TRIAD
NUCLEOTIDE-BINDING
PROTEIN 2,
MITOCHONDRIAL)		7bv1 NSP12
(SARS-CoV-2)		4 / 8
ASN A 705
ALA A 702
SER A 784
HIS A 133
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.
5KM8_B_L8PB201_1
(HISTIDINE TRIAD
NUCLEOTIDE-BINDING
PROTEIN 2,
MITOCHONDRIAL)		7bv2 NSP12
(SARS-CoV-2)		4 / 8
ASN A 705
ALA A 702
SER A 784
HIS A 133
1.70A
None