Receptor
PDB id Resolution Class Description Source Keywords
6E48 1.8 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE MURINE NOROVIRUS VP1 P DOMAIN IN CO THE CD300LF RECEPTOR AND LITHOCHOLIC ACID MURINE NOROVIRUS 1 NOROVIRUS CAPSID PROTEIN PROTRUDING DOMAIN BILE ACID VIRPROTEIN LCA MYELOID RECEPTOR CMRF-35-LIKE MOLECULE-1 CLCLM1 DIR2 IREM1 LMIR3 PIGR3 IGSF13
Ref.: STRUCTURAL BASIS FOR MURINE NOROVIRUS ENGAGEMENT OF ACIDS AND THE CD300LF RECEPTOR. PROC. NATL. ACAD. SCI. V. 115 E9201 2018 U.S.A.
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA B:602;
A:602;
A:603;
F:201;
B:603;
B:604;
 Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
 none;
none;
none;
none;
none;
none;
 submit data
40.078 Ca [Ca+2...
4OA B:601;
A:601;
 Valid;
Valid;
 none;
none;
 submit data
376.573 C24 H40 O3 C[C@H...
EDO A:604;
 Invalid;
 none;
 submit data
62.068 C2 H6 O2 C(CO)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6E48 1.8 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE MURINE NOROVIRUS VP1 P DOMAIN IN CO THE CD300LF RECEPTOR AND LITHOCHOLIC ACID MURINE NOROVIRUS 1 NOROVIRUS CAPSID PROTEIN PROTRUDING DOMAIN BILE ACID VIRPROTEIN LCA MYELOID RECEPTOR CMRF-35-LIKE MOLECULE-1 CLCLM1 DIR2 IREM1 LMIR3 PIGR3 IGSF13
Ref.: STRUCTURAL BASIS FOR MURINE NOROVIRUS ENGAGEMENT OF ACIDS AND THE CD300LF RECEPTOR. PROC. NATL. ACAD. SCI. V. 115 E9201 2018 U.S.A.
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 6E48 - 4OA C24 H40 O3 C[C@H](CCC....
2 6E47 - CHO C26 H43 N O5 C[C@H](CCC....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 6E48 - 4OA C24 H40 O3 C[C@H](CCC....
2 6E47 - CHO C26 H43 N O5 C[C@H](CCC....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 6E48 - 4OA C24 H40 O3 C[C@H](CCC....
2 6E47 - CHO C26 H43 N O5 C[C@H](CCC....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 4OA; Similar ligands found: 15
No: Ligand ECFP6 Tc MDL keys Tc
1 4OA 1 1
2 LOA 0.691358 0.894737
3 D0O 0.682927 0.618182
4 LHP 0.674699 0.871795
5 3KL 0.634146 0.918919
6 DXC 0.619048 0.972222
7 JN3 0.609756 0.972222
8 AON 0.52 0.833333
9 AOM 0.52 0.833333
10 CHO 0.479167 0.7
11 CHD 0.478261 0.972222
12 CHC 0.478261 0.945946
13 UZ9 0.443396 0.692308
14 AOI 0.423529 0.861111
15 AOX 0.423529 0.861111
Similar Ligands (3D)
Ligand no: 1; Ligand: 4OA; Similar ligands found: 9
No: Ligand Similarity coefficient
1 K2B 0.9401
2 L39 0.9061
3 5JK 0.8913
4 HCR 0.8868
5 1N7 0.8772
6 30Q 0.8749
7 3G6 0.8745
8 DL4 0.8673
9 HCY 0.8552
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6E48; Ligand: 4OA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 6e48.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 6E48; Ligand: 4OA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 6e48.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
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