Ligand ID: RAB


Drugbank ID:
DB00194
(Vidarabine)


Indication:
For treatment of chickenpox - varicella, herpes zoster and herpes simplex

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

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'RAB' 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.
3GLQ_B_RABB602_1
(ADENOSYLHOMOCYSTEINA
SE)		5rfc 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 12
HIS A  41
LEU A  27
GLY A 146
HIS A 163
PHE A 181
1.76A14.47
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.
3GLQ_B_RABB602_1
(ADENOSYLHOMOCYSTEINA
SE)		6lze VIRAL PROTEASE
(SARS-CoV-2)		5 / 12
HIS A  41
LEU A  27
GLY A 146
HIS A 163
PHE A 181
1.75A21.93
ALC  D   2 ( 4.1A)
None
None
ELL  D   3 (-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.
3GLQ_B_RABB602_1
(ADENOSYLHOMOCYSTEINA
SE)		6m0k VIRAL PROTEASE
(SARS-CoV-2)		5 / 12
HIS A  41
LEU A  27
GLY A 146
HIS A 163
PHE A 181
1.76A21.88
N0A  D   2 ( 4.0A)
None
None
ELL  D   3 (-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.
3GLQ_A_RABA602_1
(ADENOSYLHOMOCYSTEINA
SE)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 12
LEU B  67
LEU B  87
LEU B  89
GLY B  79
HIS B  80
1.66A21.82
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.
3GLQ_B_RABB602_1
(ADENOSYLHOMOCYSTEINA
SE)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 12
HIS C  41
LEU C  27
GLY C 146
HIS C 163
PHE C 181
1.74A21.82
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.
3GLQ_B_RABB602_1
(ADENOSYLHOMOCYSTEINA
SE)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 12
HIS A  41
LEU A  27
GLY A 146
HIS A 163
PHE A 181
1.78A21.82
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.
3GLQ_B_RABB602_1
(ADENOSYLHOMOCYSTEINA
SE)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 12
LEU B  67
LEU B  87
LEU B  89
GLY B  79
HIS B  80
1.69A21.82
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.
3GLQ_B_RABB602_1
(ADENOSYLHOMOCYSTEINA
SE)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 12
HIS D  41
LEU D  27
GLY D 146
HIS D 163
PHE D 181
1.76A21.82
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.
3GLQ_B_RABB602_1
(ADENOSYLHOMOCYSTEINA
SE)		6m2q 3CL PROTEASE
(SARS-CoV-2)		5 / 12
HIS A  41
LEU A  27
GLY A 146
HIS A 163
PHE A 181
1.78A21.82
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.
3GLQ_A_RABA602_1
(ADENOSYLHOMOCYSTEINA
SE)		6vsb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
LEU C 828
ASP C 867
LEU C 945
LEU C 948
GLY C1059
1.68A17.40
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.
3GLQ_A_RABA602_1
(ADENOSYLHOMOCYSTEINA
SE)		6vxx SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
LEU B 518
HIS B 519
ASP B 571
LEU B 546
GLY B 566
1.65A18.18
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.
1PW7_B_RABB646_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		6vyb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 9
ARG A1019
GLY A 769
VAL A 772
GLU A 773
GLU C1017
1.67A12.24
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.
3GLQ_A_RABA602_2
(ADENOSYLHOMOCYSTEINA
SE)		6w4h NSP10
(SARS-CoV-2)		4 / 5
GLN B4306
THR B4309
THR B4300
HIS B4301
1.58A14.98
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.
3GLQ_A_RABA602_1
(ADENOSYLHOMOCYSTEINA
SE)		6w4h NSP16
(SARS-CoV-2)		5 / 12
LEU A6852
LEU A6893
LEU A6883
GLY A6879
HIS A6867
1.78A20.96
None
None
None
SAM  A7102 (-3.4A)
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.
3GLQ_A_RABA602_1
(ADENOSYLHOMOCYSTEINA
SE)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 12
LEU A6852
LEU A6893
LEU A6883
GLY A6879
HIS A6867
1.79A
None
None
None
SAM  A7104 (-3.6A)
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.
3GLQ_A_RABA602_2
(ADENOSYLHOMOCYSTEINA
SE)		6w61 NSP10
(SARS-CoV-2)		4 / 5
GLN B4306
THR B4309
THR B4300
HIS B4301
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.
3GLQ_B_RABB602_1
(ADENOSYLHOMOCYSTEINA
SE)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 12
LEU A6852
LEU A6893
LEU A6883
GLY A6879
HIS A6867
1.79A
None
None
None
SAM  A7104 (-3.6A)
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.
3GLQ_B_RABB602_2
(ADENOSYLHOMOCYSTEINA
SE)		6w61 NSP10
(SARS-CoV-2)		4 / 5
GLN B4306
THR B4309
THR B4300
HIS B4301
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.
3GLQ_A_RABA602_1
(ADENOSYLHOMOCYSTEINA
SE)		6w63 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 12
HIS A  41
LEU A  27
GLY A 146
HIS A 163
PHE A 181
1.69A
X77  A 401 (-3.2A)
X77  A 401 ( 3.9A)
None
X77  A 401 (-4.1A)
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.
3GLQ_B_RABB602_1
(ADENOSYLHOMOCYSTEINA
SE)		6w63 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 12
HIS A  41
LEU A  27
GLY A 146
HIS A 163
PHE A 181
1.63A
X77  A 401 (-3.2A)
X77  A 401 ( 3.9A)
None
X77  A 401 (-4.1A)
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.
3GLQ_A_RABA602_2
(ADENOSYLHOMOCYSTEINA
SE)		6w75 NSP10
(SARS-CoV-2)		4 / 5
GLN B4306
THR B4309
THR B4300
HIS B4301
1.57A14.98
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.
3GLQ_A_RABA602_2
(ADENOSYLHOMOCYSTEINA
SE)		6w75 NSP10
(SARS-CoV-2)		4 / 5
GLN D4306
THR D4309
THR D4300
HIS D4301
1.59A14.98
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.
3GLQ_B_RABB602_2
(ADENOSYLHOMOCYSTEINA
SE)		6w75 NSP10
(SARS-CoV-2)		4 / 5
GLN D4306
THR D4309
THR D4300
HIS D4301
1.57A14.98
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.
3GLQ_B_RABB602_1
(ADENOSYLHOMOCYSTEINA
SE)		6w75 NSP16
(SARS-CoV-2)		5 / 12
LEU A6852
LEU A6893
LEU A6883
GLY A6879
HIS A6867
1.80A16.46
None
None
None
SAM  A7102 ( 3.4A)
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.
3GLQ_A_RABA602_1
(ADENOSYLHOMOCYSTEINA
SE)		6w75 NSP16
(SARS-CoV-2)		5 / 12
LEU C6852
LEU C6893
LEU C6883
GLY C6879
HIS C6867
1.80A16.46
None
None
None
SAM  C7105 ( 3.4A)
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.
3GLQ_B_RABB602_2
(ADENOSYLHOMOCYSTEINA
SE)		6w75 NSP10
(SARS-CoV-2)		4 / 5
GLN B4306
THR B4309
THR B4300
HIS B4301
1.54A14.98
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.
3GLQ_B_RABB602_1
(ADENOSYLHOMOCYSTEINA
SE)		6w75 NSP16
(SARS-CoV-2)		5 / 12
LEU C6852
LEU C6893
LEU C6883
GLY C6879
HIS C6867
1.79A16.46
None
None
None
SAM  C7105 ( 3.4A)
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.
3GLQ_B_RABB602_2
(ADENOSYLHOMOCYSTEINA
SE)		6wjt NSP10
(SARS-CoV-2)		4 / 5
GLN B4306
THR B4309
THR B4300
HIS B4301
1.56A
None
None
None
FMT  B4403 (-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.
3GLQ_B_RABB602_2
(ADENOSYLHOMOCYSTEINA
SE)		6wjt NSP10
(SARS-CoV-2)		4 / 5
GLN D4306
THR D4309
THR D4300
HIS D4301
1.58A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GLQ_B_RABB602_2
(ADENOSYLHOMOCYSTEINA
SE)		6wkq NSP10
(SARS-CoV-2)		4 / 5
GLN D4306
THR D4309
THR D4300
HIS D4301
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.
3GLQ_A_RABA602_2
(ADENOSYLHOMOCYSTEINA
SE)		6wkq NSP10
(SARS-CoV-2)		4 / 5
GLN D4306
THR D4309
THR D4300
HIS D4301
1.59A
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.
3GLQ_B_RABB602_2
(ADENOSYLHOMOCYSTEINA
SE)		6wkq NSP10
(SARS-CoV-2)		4 / 5
GLN B4306
THR B4309
THR B4300
HIS B4301
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.
3GLQ_A_RABA602_2
(ADENOSYLHOMOCYSTEINA
SE)		6wkq NSP10
(SARS-CoV-2)		4 / 5
GLN B4306
THR B4309
THR B4300
HIS B4301
1.59A
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.
3GLQ_B_RABB602_1
(ADENOSYLHOMOCYSTEINA
SE)		6wnp 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 12
HIS A  41
LEU A  27
GLY A 146
HIS A 163
PHE A 181
1.74A
U5G  A 401 (-3.3A)
U5G  A 401 ( 4.0A)
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.
3GLQ_A_RABA602_1
(ADENOSYLHOMOCYSTEINA
SE)		6wnp 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 12
LEU A  67
LEU A  87
LEU A  89
GLY A  79
HIS A  80
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.
3GLQ_B_RABB602_1
(ADENOSYLHOMOCYSTEINA
SE)		6wnp 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 12
LEU A  67
LEU A  87
LEU A  89
GLY A  79
HIS A  80
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.
3GLQ_B_RABB602_2
(ADENOSYLHOMOCYSTEINA
SE)		6wq3 NSP10
(SARS-CoV-2)		4 / 5
GLN B4306
THR B4309
THR B4300
HIS B4301
1.53A
SO4  B4404 (-4.3A)
SO4  B4404 (-3.8A)
SO4  B4403 (-3.2A)
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.
3GLQ_A_RABA602_2
(ADENOSYLHOMOCYSTEINA
SE)		6wq3 NSP10
(SARS-CoV-2)		4 / 5
GLN B4306
THR B4309
THR B4300
HIS B4301
1.56A
SO4  B4404 (-4.3A)
SO4  B4404 (-3.8A)
SO4  B4403 (-3.2A)
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.
3GLQ_B_RABB602_1
(ADENOSYLHOMOCYSTEINA
SE)		6wqf 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 12
HIS A  41
LEU A  27
GLY A 146
HIS A 163
PHE A 181
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.
3GLQ_A_RABA602_1
(ADENOSYLHOMOCYSTEINA
SE)		6y2g REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
HIS B  41
LEU B  27
GLY B 146
HIS B 163
PHE B 181
1.77A21.82
O6K  B 401 ( 3.7A)
None
None
O6K  B 401 ( 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.
3GLQ_B_RABB602_1
(ADENOSYLHOMOCYSTEINA
SE)		6yb7 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
HIS A  41
LEU A  27
GLY A 146
HIS A 163
PHE A 181
1.76A14.89
None
None
None
DMS  A 405 (-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.
3GLQ_B_RABB602_1
(ADENOSYLHOMOCYSTEINA
SE)		6ynq REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
HIS A  41
LEU A  27
GLY A 146
HIS A 163
PHE A 181
1.76A
None
None
None
P6N  A 502 (-3.8A)
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.
3GLQ_B_RABB602_1
(ADENOSYLHOMOCYSTEINA
SE)		6yt8 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
HIS A  41
LEU A  27
GLY A 146
HIS A 163
PHE A 181
1.76A
PK8  A 401 (-3.2A)
PK8  A 401 ( 3.6A)
None
DMS  A 403 (-4.1A)
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.
3GLQ_B_RABB602_1
(ADENOSYLHOMOCYSTEINA
SE)		7bqy MAIN PROTEASE
(SARS-CoV-2)		5 / 12
HIS A  41
LEU A  27
GLY A 146
HIS A 163
PHE A 181
1.77A
None
PJE  C   5 (-4.2A)
None
PJE  C   5 (-3.8A)
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.
3GLQ_B_RABB602_1
(ADENOSYLHOMOCYSTEINA
SE)		7buy VIRUS MAIN PROTEASE
(SARS-CoV-2)		5 / 12
HIS A  41
LEU A  27
GLY A 146
HIS A 163
PHE A 181
1.73A
JRY  A 401 (-3.9A)
None
None
DMS  A 402 (-3.9A)
None