PDB ID: 5dus


Macromolecule:
ORF1A

Source Organism:
MERS-CoV

Gene names:
-

UniProt ID:
K9N638

SIMILAR PATTERN OF AMINO ACIDS MAPPED TO PDBID '5dus'

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 through AutoDock Vina.

DrReposER ID / Desc. Drug 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.
2AOF_C_FRDC305_1
(POL POLYPROTEIN
PEPTIDE INHIBITOR)		Amphetamine4 / 5
ASP A  20
GLY A  46
ALA A  54
ILE A  22
1.02A20.11
APR  A 201 (-3.5A)
APR  A 201 (-3.3A)
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.
4QKN_A_JMSA602_1
(ALPHA-KETOGLUTARATE-
DEPENDENT
DIOXYGENASE FTO)		Meclofenamic acid4 / 8
LEU A  33
THR A 122
PRO A 123
VAL A 125
1.21A16.04
None
None
APR  A 201 (-4.9A)
APR  A 201 ( 4.5A)
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.
5JVZ_A_FLPA601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		Flurbiprofen5 / 12
VAL A 158
LEU A 162
GLY A 128
ALA A 127
LEU A 124
0.91A15.34
None
None
APR  A 201 (-3.3A)
APR  A 201 (-3.9A)
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.
4EAT_A_BEZA1000_0
(BENZOATE-COENZYME A
LIGASE)		Benzoic Acid4 / 7
ALA A  50
GLY A  49
ILE A  47
ILE A  22
1.43A16.96
APR  A 201 ( 4.8A)
None
APR  A 201 (-4.0A)
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.
3LZV_A_017A200_1
(HIV-1 PROTEASE)		Darunavir5 / 10
LEU A 124
ALA A  36
ILE A  51
GLY A  46
VAL A 153
1.40A20.56
None
APR  A 201 (-3.3A)
None
APR  A 201 (-3.3A)
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.
3UIV_H_308H1008_1
(SERUM ALBUMIN)		Amantadine4 / 6
LEU A  41
ILE A  90
ILE A  51
ALA A  48
1.34A15.56
None
None
None
APR  A 201 ( 3.7A)
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.
1LIN_A_TFPA153_1
(CALMODULIN)		Trifluoperazine4 / 8
ILE A 142
GLU A 144
ALA A 145
VAL A  14
1.11A19.21
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.
2NYR_B_SVRB401_1
(NAD-DEPENDENT
DEACETYLASE
SIRTUIN-5)		Suramin5 / 12
ALA A  37
ALA A  87
ALA A  25
ILE A  47
LEU A 141
1.39A20.51
None
None
None
APR  A 201 (-4.0A)
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.
2OCU_A_TYLA3001_1
(LACTOTRANSFERRIN)		Acetaminophen3 / 3
LEU A 150
TYR A  28
GLY A  29
0.87A19.82
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.
3N8Z_A_FLPA701_1
(PROSTAGLANDIN G/H
SYNTHASE 1)		Flurbiprofen5 / 12
VAL A 158
LEU A 162
GLY A 128
ALA A 127
LEU A 124
0.85A15.58
None
None
APR  A 201 (-3.3A)
APR  A 201 (-3.9A)
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.
3NT1_A_NPSA5_1
(PROSTAGLANDIN-ENDOPE
ROXIDE SYNTHASE 2)		Naproxen5 / 12
VAL A 158
LEU A 162
GLY A 128
ALA A 127
LEU A 124
0.88A15.79
None
None
APR  A 201 (-3.3A)
APR  A 201 (-3.9A)
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.
4PFJ_A_ADNA502_2
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine4 / 7
GLU A  12
THR A  11
THR A 122
ASN A 115
1.18A18.38
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.
1PBK_A_RAPA225_1
(FKBP25)		Sirolimus5 / 12
TYR A 111
GLY A  19
VAL A 152
ILE A  16
ALA A 135
1.49A23.78
None
None
APR  A 201 (-4.8A)
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.
1PBK_A_RAPA225_1
(FKBP25)		Sirolimus5 / 12
GLY A  19
VAL A  17
ILE A  16
ALA A 145
ILE A 142
1.16A23.78
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.
2UYQ_A_SAMA1311_0
(HYPOTHETICAL PROTEIN
ML2640)		S-Adenosylmethionine4 / 7
ALA A  21
GLY A  19
VAL A  17
LEU A  33
1.30A20.65
APR  A 201 (-3.5A)
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.
2AOI_C_FRDC305_1
(POL POLYPROTEIN
PEPTIDE INHIBITOR)		Amphetamine4 / 5
ASP A  20
GLY A  46
PRO A 123
VAL A 152
1.29A17.42
APR  A 201 (-3.5A)
APR  A 201 (-3.3A)
APR  A 201 (-4.9A)
APR  A 201 (-4.8A)
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.
3LN1_A_CELA682_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		Celecoxib5 / 12
VAL A 158
LEU A 162
GLY A 128
ALA A 127
LEU A 124
0.93A15.79
None
None
APR  A 201 (-3.3A)
APR  A 201 (-3.9A)
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.
3LN1_B_CELB682_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		Celecoxib5 / 12
VAL A 158
LEU A 162
GLY A 128
ALA A 127
LEU A 124
0.91A15.79
None
None
APR  A 201 (-3.3A)
APR  A 201 (-3.9A)
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.
2AYL_A_FLPA1701_1
(PROSTAGLANDIN G/H
SYNTHASE 1)		Flurbiprofen5 / 12
VAL A 158
LEU A 162
GLY A 128
ALA A 127
LEU A 124
0.90A15.58
None
None
APR  A 201 (-3.3A)
APR  A 201 (-3.9A)
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.
2AOH_C_FRDC305_2
(POL POLYPROTEIN
PEPTIDE INHIBITOR)		Amphetamine4 / 5
ASP A  20
GLY A  46
ALA A  54
ILE A  22
1.06A20.11
APR  A 201 (-3.5A)
APR  A 201 (-3.3A)
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.
5NUM_A_Z80A201_1
(BETA-LACTOGLOBULIN)		Chlorpromazine4 / 8
ILE A  22
LEU A  86
ILE A  51
ILE A  47
1.42A23.81
None
None
None
APR  A 201 (-4.0A)
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.
4C8B_A_0LIA1000_2
(RECEPTOR-INTERACTING
SERINE/THREONINE-PRO
TEIN KINASE 2)		Ponatinib4 / 5
VAL A 149
ILE A  51
TYR A  28
ILE A  47
1.44A19.22
None
None
None
APR  A 201 (-4.0A)
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.
3C6G_A_VD3A701_2
(CYTOCHROME P450 2R1)		Cholecalciferol3 / 3
MET A 114
VAL A  14
GLU A 144
0.89A14.19
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.
4ZDY_A_1YNA602_2
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		Itraconazole3 / 3
ALA A  25
TYR A  28
PRO A 118
1.00A15.56
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.
5JW1_A_CELA602_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		Celecoxib5 / 12
VAL A 158
LEU A 162
GLY A 128
ALA A 127
LEU A 124
0.91A15.34
None
None
APR  A 201 (-3.3A)
APR  A 201 (-3.9A)
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.
2PRG_A_BRLA1_2
(PEROXISOME
PROLIFERATOR
ACTIVATED RECEPTOR
GAMMA)		Rosiglitazone3 / 3
ILE A  22
ILE A  90
LEU A   2
0.57A21.74
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.
1EQH_A_FLPA701_1
(PROSTAGLANDIN H2
SYNTHASE-1)		Flurbiprofen5 / 12
VAL A 158
LEU A 162
GLY A 128
ALA A 127
LEU A 124
0.86A14.68
None
None
APR  A 201 (-3.3A)
APR  A 201 (-3.9A)
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.
1JTV_A_TESA500_1
(17
BETA-HYDROXYSTEROID
DEHYDROGENASE TYPE 1)		Testosterone4 / 8
VAL A 120
LEU A  91
PRO A 123
VAL A 125
1.46A19.10
None
None
APR  A 201 (-4.9A)
APR  A 201 ( 4.5A)
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.
3HJO_B_EAAB211_1
(GLUTATHIONE
S-TRANSFERASE P)		Etacrynic acid4 / 8
VAL A 153
VAL A  24
ILE A  10
VAL A  14
1.48A23.08
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.
3D41_A_FCNA4001_1
(FOMA PROTEIN)		Fosfomycin4 / 8
GLY A  44
GLY A  49
HIS A  43
ILE A  51
0.86A20.70
APR  A 201 (-3.6A)
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.
1TDR_A_MTXA170_2
(TELLUROMETHIONYL
DIHYDROFOLATE
REDUCTASE)		Methotrexate3 / 3
SER A 161
ILE A  10
THR A 122
1.10A16.27
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.
5E5J_A_017A201_3
(PROTEASE)		Darunavir3 / 3
ASP A  97
VAL A 132
LEU A 107
0.74A18.60
GOL  A 205 (-3.2A)
None
None