Receptor
PDB id Resolution Class Description Source Keywords
6XW7 2.15 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF MURINE NOROVIRUS P DOMAIN IN COMPLEX WI NANOBODY NB-5829 AND GLYCOCHENODEOXYCHOLATE (GCDCA) MURINE NOROVIRUS 1 MNV NEUTRALIZING NANOBODY VHH NOROVIRUS VIRAL PROTEIN
Ref.: NANOBODY-MEDIATED NEUTRALIZATION REVEALS AN ACHILLE FOR NOROVIRUS. J.VIROL. V. 94 2020
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CHO E:603;
A:603;
B:601;
F:900;
 Valid;
Valid;
Valid;
Valid;
 none;
none;
none;
none;
 submit data
449.623 C26 H43 N O5 C[C@H...
EDO E:602;
A:601;
H:700;
D:700;
G:700;
A:602;
C:700;
E:601;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
none;
none;
 submit data
62.068 C2 H6 O2 C(CO)...
MG B:602;
 Part of Protein;
 none;
 submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6XW7 2.15 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF MURINE NOROVIRUS P DOMAIN IN COMPLEX WI NANOBODY NB-5829 AND GLYCOCHENODEOXYCHOLATE (GCDCA) MURINE NOROVIRUS 1 MNV NEUTRALIZING NANOBODY VHH NOROVIRUS VIRAL PROTEIN
Ref.: NANOBODY-MEDIATED NEUTRALIZATION REVEALS AN ACHILLE FOR NOROVIRUS. J.VIROL. V. 94 2020
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 6XW7 - CHO C26 H43 N O5 C[C@H](CCC....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 6XW7 - CHO C26 H43 N O5 C[C@H](CCC....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 6XW7 - 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 : 6XW7; Ligand: CHO; 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: 6xw7.bio2) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 6XW7; Ligand: CHO; 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: 6xw7.bio2) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 6XW7; Ligand: CHO; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 6xw7.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 6XW7; Ligand: CHO; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 6xw7.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
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