Ligand ID: MII


Drugbank ID:
DB01603
(Meticillin)


Indication:
Used to treat infections caused by susceptible Gram-positive bacteria, particularly beta-lactamase-producing organisms such as Staphylococcus aureus that would otherwise be resistant to most penicillins.

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

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'MII' AND SARS-RELATED PROTEINS ONLY

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.
3KP4_A_MIIA2001_1
(TRANSCRIPTIONAL
REGULATOR TCAR)		1zv8 E2 GLYCOPROTEIN
(SARSr-CoV)		5 / 9
ASN I   7
LEU H  30
ALA I  12
SER I  14
ASN F  25
1.56A20.87
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.
3KP4_A_MIIA2001_1
(TRANSCRIPTIONAL
REGULATOR TCAR)		2fe8 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 9
THR A 159
LEU A 153
ALA A 154
SER A 156
ASN B 157
1.48A18.58
 BR  A 319 ( 4.5A)
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.
3KP4_A_MIIA2001_1
(TRANSCRIPTIONAL
REGULATOR TCAR)		2g9t ORF1A POLYPROTEIN
(SARSr-CoV)		5 / 9
THR J  51
GLN J  65
ALA J  61
SER J  67
ASN I  40
1.66A19.08
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.
3KP4_A_MIIA2001_1
(TRANSCRIPTIONAL
REGULATOR TCAR)		2gdt NSP1 (EC 3.4.22.-)
P65 HOMOLOG
LEADER PROTEIN
(SARSr)		5 / 9
ASN A  69
THR A  68
LEU A  66
ALA A  65
SER A  63
1.32A24.22
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.
3KP4_A_MIIA2001_1
(TRANSCRIPTIONAL
REGULATOR TCAR)		2gdt NSP1 (EC 3.4.22.-)
P65 HOMOLOG
LEADER PROTEIN
(SARSr)		5 / 9
THR A  68
LEU A  66
ALA A  65
SER A  63
ASN A 115
0.93A24.22
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.
3KP4_A_MIIA2001_1
(TRANSCRIPTIONAL
REGULATOR TCAR)		4m0w REPLICASE
POLYPROTEIN 1A
UBIQUITIN
(Bos
taurus;
SARSr-CoV)		5 / 9
ASN B  60
THR A 198
LEU A 186
GLN A 233
ALA B  46
1.70A23.68
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.
3KP4_A_MIIA2001_1
(TRANSCRIPTIONAL
REGULATOR TCAR)		5e6j REPLICASE
POLYPROTEIN 1AB
UBIQUITIN
(SARSr-CoV;
synthetic
construct)		5 / 9
ASN B  60
THR A 198
LEU A 186
GLN A 233
ALA B  46
1.70A23.03
None
None
None
None
5MW  B  48 ( 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.
3KP4_A_MIIA2001_1
(TRANSCRIPTIONAL
REGULATOR TCAR)		6crw SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 9
ASN A  73
THR A 247
LEU A 235
ALA A 250
HIS A  70
1.77A9.25
None