Receptor
PDB id Resolution Class Description Source Keywords
6e47 1.95 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE MURINE NOROVIRUS VP1 P DOMAIN IN CO THE CD300LF RECEPTOR AND GLYCOCHENODEOXYCHOLIC ACID MURINE NOROVIRUS 1 NOROVIRUS CAPSID PROTEIN PROTRUDING DOMAIN BILE ACID VIRPROTEIN GCDCA MYELOID RECEPTOR CMRF-35-LIKE MOLECULE-1 CLM1 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
MG B:603;
G:201;
B:604;
F:201;
A:602;
A:601;
 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
24.305 Mg [Mg+2...
EDO F:207;
B:605;
B:608;
F:202;
A:606;
F:205;
G:202;
B:607;
A:605;
B:610;
F:208;
F:206;
A:603;
F:204;
B:609;
F:203;
B:606;
A:607;
A:604;
G:204;
G:203;
A:608;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
 submit data
62.068 C2 H6 O2 C(CO)...
CHO B:601;
B:602;
 Valid;
Valid;
 none;
none;
 submit data
449.623 C26 H43 N O5 C[C@H...
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: CHO; Similar ligands found: 13
No: Ligand ECFP6 Tc MDL keys Tc
1 CHO 1 1
2 JN3 0.775 0.714286
3 TUD 0.761364 0.657143
4 5D5 0.761364 0.657143
5 GCH 0.642105 1
6 7CW 0.62037 0.774194
7 7CF 0.533333 0.630137
8 7C8 0.487395 0.605634
9 TCH 0.485981 0.666667
10 4OA 0.479167 0.7
11 CHD 0.474747 0.714286
12 CHC 0.445545 0.7
13 CPS 0.433333 0.605263
Similar Ligands (3D)
Ligand no: 1; Ligand: CHO; Similar ligands found: 2
No: Ligand Similarity coefficient
1 6SB 0.8813
2 DXC 0.8702
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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