Ligand ID: 5AE


Drugbank ID:
DB00928
(Azacitidine)


Indication:
For treatment of patients with the following French-American-British myelodysplastic syndrome subtypes: refractory anemia or refractory anemia with ringed sideroblasts (if accompanied by neutropenia or thrombocytopenia or requiring transfusions), refractory anemia with excess blasts, refractory anemia with excess blasts in transformation (now classified as acute myelogenous leukemia with multilineage dysplasia), and chronic myelomonocytic leukemia.

Get human targets for 5AE in PDB (known and potential targets)

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND '5AE'

Click here for results that match SARS-Cov-2 / COVID-19 structures only
Click here for results that match SARS-related structures only


1) User may click on the DrReposER ID (the second 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 through 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.
4QD3_A_5AEA201_1
(PEPTIDYL-TRNA
HYDROLASE)		1q2w 3C-LIKE PROTEASE
(SARSr-CoV)		5 / 9
LEU B 177
GLY B 174
HIS B 164
VAL B 148
SER B 147
1.57A20.63
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.
4QD3_A_5AEA201_1
(PEPTIDYL-TRNA
HYDROLASE)		1z1j 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 9
HIS A  41
GLY A 146
HIS A 164
VAL A  20
VAL A  42
1.57A21.22
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.
4QD3_A_5AEA201_1
(PEPTIDYL-TRNA
HYDROLASE)		2ahm REPLICASE
POLYPROTEIN 1AB,
LIGHT CHAIN
(SARSr-CoV)		5 / 9
HIS B  41
VAL C  17
SER C  20
VAL B  16
LEU B  19
1.58A21.79
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.
4QD3_A_5AEA201_1
(PEPTIDYL-TRNA
HYDROLASE)		2d2d 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 9
LEU A 177
GLY A 174
HIS A 164
VAL A 148
SER A 147
1.55A20.57
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.
4QD3_A_5AEA201_1
(PEPTIDYL-TRNA
HYDROLASE)		2gt8 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 9
LEU A 177
GLY A 174
HIS A 164
VAL A 148
SER A 147
1.55A20.83
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.
4QD3_A_5AEA201_1
(PEPTIDYL-TRNA
HYDROLASE)		2op9 REPLICASE
POLYPROTEIN 1AB
(PP1AB, ORF1AB)
3C-LIKE PROTEINASE
(3CL-PRO, 3CLP)
(SARSr-CoV)		5 / 9
LEU A 177
GLY A 174
HIS A 164
VAL A 148
SER A 147
1.52A20.58
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.
4QD3_A_5AEA201_1
(PEPTIDYL-TRNA
HYDROLASE)		2pwx 3C-LIKE PROTEINASE
(SARS-COV
BJ01)		5 / 9
LEU A 177
GLY A 174
HIS A 164
VAL A 148
SER A 147
1.57A21.57
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.
4QD3_A_5AEA201_1
(PEPTIDYL-TRNA
HYDROLASE)		2qc2 3C-LIKE PROTEINASE
(-)		5 / 9
LEU B 177
GLY B 174
HIS B 164
VAL B 148
SER B 147
1.57A21.41
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.
4QD3_A_5AEA201_1
(PEPTIDYL-TRNA
HYDROLASE)		2qcy 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 9
LEU A 177
GLY A 174
HIS A 164
VAL A 148
SER A 147
1.56A19.94
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.
4QD3_A_5AEA201_1
(PEPTIDYL-TRNA
HYDROLASE)		2qiq REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 9
HIS A  41
GLY A 146
HIS A 164
VAL A  20
VAL A  42
1.53A20.65
CYV  A 302 ( 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.
4QD3_A_5AEA201_1
(PEPTIDYL-TRNA
HYDROLASE)		2vj1 MAIN PROTEINASE
(SARSr-CoV)		5 / 9
LEU A 177
GLY A 174
HIS A 164
VAL A 148
SER A 147
1.55A20.70
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.
4QD3_A_5AEA201_1
(PEPTIDYL-TRNA
HYDROLASE)		3aw1 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 9
LEU A 177
GLY A 174
HIS A 164
VAL A 148
SER A 147
1.51A20.90
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.
4QD3_A_5AEA201_1
(PEPTIDYL-TRNA
HYDROLASE)		3bgf F26G19 FAB
(Mus
musculus)		5 / 9
GLY L 158
VAL L 132
SER L 131
VAL L 133
LEU H 143
1.56A19.55
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.
4QD3_A_5AEA201_1
(PEPTIDYL-TRNA
HYDROLASE)		3ea7 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 9
LEU A 177
GLY A 174
HIS A 164
VAL A 148
SER A 147
1.55A20.58
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.
4QD3_A_5AEA201_1
(PEPTIDYL-TRNA
HYDROLASE)		3eaj 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 9
LEU A 177
GLY A 174
HIS A 164
VAL A 148
SER A 147
1.56A20.58
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.
4QD3_A_5AEA201_1
(PEPTIDYL-TRNA
HYDROLASE)		3f9g 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 9
LEU A 177
GLY A 174
HIS A 164
VAL A 148
SER A 147
1.57A20.83
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.
4QD3_A_5AEA201_1
(PEPTIDYL-TRNA
HYDROLASE)		3f9h 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 9
HIS B  41
GLY B 146
HIS B 164
VAL B  20
VAL B  42
1.53A21.09
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.
4QD3_A_5AEA201_1
(PEPTIDYL-TRNA
HYDROLASE)		3m3s 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 9
LEU B 177
GLY B 174
HIS B 164
VAL B 148
SER B 147
1.55A21.54
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.
4QD3_A_5AEA201_1
(PEPTIDYL-TRNA
HYDROLASE)		3m3v 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 9
LEU B 177
GLY B 174
HIS B 164
VAL B 148
SER B 147
1.55A20.45
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.
4QD3_A_5AEA201_1
(PEPTIDYL-TRNA
HYDROLASE)		3scl ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 9
HIS A 401
LEU A 558
GLY A 561
ASN A 394
VAL A 404
1.56A14.77
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.
4QD3_A_5AEA201_1
(PEPTIDYL-TRNA
HYDROLASE)		3vb6 3C-LIKE PROTEINASE
C6Z INHIBITOR
(SARSr-CoV)		5 / 9
HIS A 164
LEU A  87
GLY A  29
VAL A  42
LEU E   6
1.51A20.90
None
None
None
None
0JU  E   7 ( 4.3A)
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.
4QD3_A_5AEA201_1
(PEPTIDYL-TRNA
HYDROLASE)		4mds 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 9
LEU A 177
GLY A 174
HIS A 164
VAL A 148
SER A 147
1.55A19.81
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.
4QD3_A_5AEA201_1
(PEPTIDYL-TRNA
HYDROLASE)		5b6o 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 9
LEU A 177
GLY A 174
HIS A 164
VAL A 148
SER A 147
1.58A20.87
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.
4QD3_A_5AEA201_1
(PEPTIDYL-TRNA
HYDROLASE)		5r84 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 9
LEU A 177
GLY A 174
HIS A 164
VAL A 148
SER A 147
1.52A20.95
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.
4QD3_A_5AEA201_1
(PEPTIDYL-TRNA
HYDROLASE)		5rfc 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 9
LEU A  89
HIS A  80
ASN A  65
VAL A  68
VAL A  77
1.62A18.78
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.
4QD3_A_5AEA201_1
(PEPTIDYL-TRNA
HYDROLASE)		5rfc 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 9
LEU A 177
GLY A 174
HIS A 164
VAL A 148
SER A 147
1.55A18.78
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.
4QD3_A_5AEA201_1
(PEPTIDYL-TRNA
HYDROLASE)		6crx SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 9
LEU C 235
GLY C 246
ASN C  73
VAL C  97
SER C  95
1.44A10.12
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.
4QD3_A_5AEA201_1
(PEPTIDYL-TRNA
HYDROLASE)		6lxt SPIKE PROTEIN S2
(SARS-CoV-2)		5 / 9
LEU F 977
ASN D 969
VAL D 976
SER D 974
LEU D1166
1.34A22.22
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.
4QD3_A_5AEA201_1
(PEPTIDYL-TRNA
HYDROLASE)		6lze VIRAL PROTEASE
(SARS-CoV-2)		5 / 9
HIS A  41
GLY A 146
HIS A 164
VAL A  20
VAL A  42
1.61A21.20
ALC  D   2 ( 4.1A)
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.
4QD3_A_5AEA201_1
(PEPTIDYL-TRNA
HYDROLASE)		6lze VIRAL PROTEASE
(SARS-CoV-2)		5 / 9
LEU A 177
GLY A 174
HIS A 164
VAL A 148
SER A 147
1.55A21.20
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.
4QD3_A_5AEA201_1
(PEPTIDYL-TRNA
HYDROLASE)		6m0k VIRAL PROTEASE
(SARS-CoV-2)		5 / 9
LEU A 177
GLY A 174
HIS A 164
VAL A 148
SER A 147
1.54A21.14
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.
4QD3_A_5AEA201_1
(PEPTIDYL-TRNA
HYDROLASE)		6m0k VIRAL PROTEASE
(SARS-CoV-2)		5 / 9
HIS A  41
GLY A 146
HIS A 164
VAL A  20
VAL A  42
1.63A21.14
N0A  D   2 ( 4.0A)
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.
4QD3_A_5AEA201_1
(PEPTIDYL-TRNA
HYDROLASE)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 9
HIS D  41
GLY D 146
HIS D 164
VAL D  20
VAL D  42
1.57A20.95
3WL  D 401 (-3.9A)
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.
4QD3_A_5AEA201_1
(PEPTIDYL-TRNA
HYDROLASE)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 9
LEU B 177
GLY B 174
HIS B 164
VAL B 148
SER B 147
1.58A20.95
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.
4QD3_A_5AEA201_1
(PEPTIDYL-TRNA
HYDROLASE)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 9
HIS B  41
GLY B 146
HIS B 164
VAL B  20
VAL B  42
1.57A20.95
3WL  B 401 (-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.
4QD3_A_5AEA201_1
(PEPTIDYL-TRNA
HYDROLASE)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 9
HIS A  41
GLY A 146
HIS A 164
VAL A  20
VAL A  42
1.59A20.95
3WL  A 401 (-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.
4QD3_A_5AEA201_1
(PEPTIDYL-TRNA
HYDROLASE)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 9
HIS C  41
GLY C 146
HIS C 164
VAL C  20
VAL C  42
1.59A20.95
3WL  C 401 (-3.4A)
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.
4QD3_A_5AEA201_1
(PEPTIDYL-TRNA
HYDROLASE)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 9
LEU D  89
HIS D  80
ASN D  65
VAL D  68
VAL D  77
1.55A20.95
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.
4QD3_A_5AEA201_1
(PEPTIDYL-TRNA
HYDROLASE)		6m2q 3CL PROTEASE
(SARS-CoV-2)		5 / 9
LEU A 177
GLY A 174
HIS A 164
VAL A 148
SER A 147
1.55A20.95
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.
4QD3_A_5AEA201_1
(PEPTIDYL-TRNA
HYDROLASE)		6m2q 3CL PROTEASE
(SARS-CoV-2)		5 / 9
HIS A  41
GLY A 146
HIS A 164
VAL A  20
VAL A  42
1.65A20.95
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.
4QD3_A_5AEA201_1
(PEPTIDYL-TRNA
HYDROLASE)		6vxs NSP3
(SARS-CoV-2)		5 / 9
HIS A  94
LEU A  53
HIS A  45
VAL A  35
LEU A  93
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.
4QD3_A_5AEA201_1
(PEPTIDYL-TRNA
HYDROLASE)		6vxs NSP3
(SARS-CoV-2)		5 / 9
HIS B  94
LEU B  53
HIS B  45
VAL B  35
LEU B  93
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.
4QD3_A_5AEA201_1
(PEPTIDYL-TRNA
HYDROLASE)		6w41 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)		5 / 9
HIS H 200
ASN H 199
VAL H 121
VAL H 142
LEU H 178
1.69A22.80
None
None
None
None
GOL  L 301 (-4.9A)
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.
4QD3_A_5AEA201_1
(PEPTIDYL-TRNA
HYDROLASE)		6w63 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 9
LEU A 177
GLY A 174
HIS A 164
VAL A 148
SER A 147
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.
4QD3_A_5AEA201_1
(PEPTIDYL-TRNA
HYDROLASE)		6w6y NSP3
(SARS-CoV-2)		5 / 9
HIS A  94
LEU A  53
HIS A  45
VAL A  35
LEU A  93
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.
4QD3_A_5AEA201_1
(PEPTIDYL-TRNA
HYDROLASE)		6w6y NSP3
(SARS-CoV-2)		5 / 9
HIS B  94
LEU B  53
HIS B  45
VAL B  35
LEU B  93
1.63A
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.
4QD3_A_5AEA201_1
(PEPTIDYL-TRNA
HYDROLASE)		6wcf NSP3
(SARS-CoV-2)		5 / 9
HIS A  94
LEU A  53
HIS A  45
VAL A  35
LEU A  93
1.63A
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.
4QD3_A_5AEA201_1
(PEPTIDYL-TRNA
HYDROLASE)		6wen NSP3
(SARS-CoV-2)		5 / 9
HIS A  94
LEU A  53
HIS A  45
VAL A  35
LEU A  93
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.
4QD3_A_5AEA201_1
(PEPTIDYL-TRNA
HYDROLASE)		6wey NSP3
(SARS-CoV-2)		5 / 9
HIS A 298
LEU A 257
HIS A 249
VAL A 239
LEU A 297
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.
4QD3_A_5AEA201_1
(PEPTIDYL-TRNA
HYDROLASE)		6wnp 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 9
HIS A  41
GLY A 146
HIS A 164
VAL A  20
VAL A  42
1.59A
U5G  A 401 (-3.3A)
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.
4QD3_A_5AEA201_1
(PEPTIDYL-TRNA
HYDROLASE)		6wnp 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 9
LEU A 177
GLY A 174
HIS A 164
VAL A 148
SER A 147
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.
4QD3_A_5AEA201_1
(PEPTIDYL-TRNA
HYDROLASE)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 9
HIS B  94
LEU B  53
HIS B  45
VAL B  35
LEU B  93
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.
4QD3_A_5AEA201_1
(PEPTIDYL-TRNA
HYDROLASE)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 9
LEU C  53
HIS C  86
ASN C  87
VAL C  24
VAL C  35
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.
4QD3_A_5AEA201_1
(PEPTIDYL-TRNA
HYDROLASE)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 9
HIS A  94
LEU A  53
HIS A  45
VAL A  35
LEU A  93
1.67A
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.
4QD3_A_5AEA201_1
(PEPTIDYL-TRNA
HYDROLASE)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 9
HIS C  94
LEU C  53
HIS C  45
VAL C  35
LEU C  93
1.67A
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.
4QD3_A_5AEA201_1
(PEPTIDYL-TRNA
HYDROLASE)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 9
HIS D  94
LEU D  53
HIS D  45
VAL D  35
LEU D  93
1.68A
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.
4QD3_A_5AEA201_1
(PEPTIDYL-TRNA
HYDROLASE)		6wqf 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 9
HIS A  41
GLY A 146
HIS A 164
VAL A  20
VAL A  42
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.
4QD3_A_5AEA201_1
(PEPTIDYL-TRNA
HYDROLASE)		6yb7 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 9
HIS A  41
GLY A 146
HIS A 164
VAL A  20
VAL A  42
1.65A18.78
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.
4QD3_A_5AEA201_1
(PEPTIDYL-TRNA
HYDROLASE)		6yb7 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 9
LEU A 177
GLY A 174
HIS A 164
VAL A 148
SER A 147
1.55A18.78
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.
4QD3_A_5AEA201_1
(PEPTIDYL-TRNA
HYDROLASE)		6yb7 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 9
LEU A  89
HIS A  80
ASN A  65
VAL A  68
VAL A  77
1.62A18.78
None
None
DMS  A 402 (-4.0A)
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.
4QD3_A_5AEA201_1
(PEPTIDYL-TRNA
HYDROLASE)		6yla HEAVY CHAIN
(Homo
sapiens)		5 / 9
HIS B 204
ASN B 203
VAL B 125
VAL B 146
LEU B 182
1.68A
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.
4QD3_A_5AEA201_1
(PEPTIDYL-TRNA
HYDROLASE)		6ynq REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 9
LEU A 177
GLY A 174
HIS A 164
VAL A 148
SER A 147
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.
4QD3_A_5AEA201_1
(PEPTIDYL-TRNA
HYDROLASE)		6ynq REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 9
HIS A  41
GLY A 146
HIS A 164
VAL A  20
VAL A  42
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.
4QD3_A_5AEA201_1
(PEPTIDYL-TRNA
HYDROLASE)		6ynq REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 9
LEU A  89
HIS A  80
ASN A  65
VAL A  68
VAL A  77
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.
4QD3_A_5AEA201_1
(PEPTIDYL-TRNA
HYDROLASE)		6yt8 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 9
LEU A  89
HIS A  80
ASN A  65
VAL A  68
VAL A  77
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.
4QD3_A_5AEA201_1
(PEPTIDYL-TRNA
HYDROLASE)		6yt8 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 9
LEU A 177
GLY A 174
HIS A 164
VAL A 148
SER A 147
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.
4QD3_A_5AEA201_1
(PEPTIDYL-TRNA
HYDROLASE)		6yt8 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 9
HIS A  41
GLY A 146
HIS A 164
VAL A  20
VAL A  42
1.61A
PK8  A 401 (-3.2A)
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.
4QD3_A_5AEA201_1
(PEPTIDYL-TRNA
HYDROLASE)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 9
HIS B  94
LEU B  53
HIS B  45
VAL B  35
LEU B  93
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.
4QD3_A_5AEA201_1
(PEPTIDYL-TRNA
HYDROLASE)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 9
HIS D  94
LEU D  53
HIS D  45
VAL D  35
LEU D  93
1.63A
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.
4QD3_A_5AEA201_1
(PEPTIDYL-TRNA
HYDROLASE)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 9
HIS E  94
LEU E  53
HIS E  45
VAL E  35
LEU E  93
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.
4QD3_A_5AEA201_1
(PEPTIDYL-TRNA
HYDROLASE)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 9
HIS C  94
LEU C  53
HIS C  45
VAL C  35
LEU C  93
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.
4QD3_A_5AEA201_1
(PEPTIDYL-TRNA
HYDROLASE)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 9
HIS A  94
LEU A  53
HIS A  45
VAL A  35
LEU A  93
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.
4QD3_A_5AEA201_1
(PEPTIDYL-TRNA
HYDROLASE)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 9
HIS B  94
LEU B  53
HIS B  45
VAL B  35
LEU B  93
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.
4QD3_A_5AEA201_1
(PEPTIDYL-TRNA
HYDROLASE)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 9
HIS C  94
LEU C  53
HIS C  45
VAL C  35
LEU C  93
1.68A
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.
4QD3_A_5AEA201_1
(PEPTIDYL-TRNA
HYDROLASE)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 9
HIS E  94
LEU E  53
HIS E  45
VAL E  35
LEU E  93
1.67A
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.
4QD3_A_5AEA201_1
(PEPTIDYL-TRNA
HYDROLASE)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 9
HIS A  94
LEU A  53
HIS A  45
VAL A  35
LEU A  93
1.67A
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.
4QD3_A_5AEA201_1
(PEPTIDYL-TRNA
HYDROLASE)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 9
HIS D  94
LEU D  53
HIS D  45
VAL D  35
LEU D  93
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.
4QD3_A_5AEA201_1
(PEPTIDYL-TRNA
HYDROLASE)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 9
HIS B  94
LEU B  53
HIS B  45
VAL B  35
LEU B  93
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.
4QD3_A_5AEA201_1
(PEPTIDYL-TRNA
HYDROLASE)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 9
HIS C  94
LEU C  53
HIS C  45
VAL C  35
LEU C  93
1.63A
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.
4QD3_A_5AEA201_1
(PEPTIDYL-TRNA
HYDROLASE)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 9
HIS A  94
LEU A  53
HIS A  45
VAL A  35
LEU A  93
1.63A
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.
4QD3_A_5AEA201_1
(PEPTIDYL-TRNA
HYDROLASE)		7bqy MAIN PROTEASE
(SARS-CoV-2)		5 / 9
HIS A  41
GLY A 146
HIS A 164
VAL A  20
VAL A  42
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.
4QD3_A_5AEA201_1
(PEPTIDYL-TRNA
HYDROLASE)		7bqy MAIN PROTEASE
(SARS-CoV-2)		5 / 9
LEU A 177
GLY A 174
HIS A 164
VAL A 148
SER A 147
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.
4QD3_A_5AEA201_1
(PEPTIDYL-TRNA
HYDROLASE)		7buy VIRUS MAIN PROTEASE
(SARS-CoV-2)		5 / 9
HIS A  41
GLY A 146
HIS A 164
VAL A  20
VAL A  42
1.63A
JRY  A 401 (-3.9A)
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.
4QD3_A_5AEA201_1
(PEPTIDYL-TRNA
HYDROLASE)		7buy VIRUS MAIN PROTEASE
(SARS-CoV-2)		5 / 9
LEU A 177
GLY A 174
HIS A 164
VAL A 148
SER A 147
1.54A
None