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Receptor
PDB id Resolution Class Description Source Keywords
1Z4V 2.3 Å EC: 3.2.1.18 PARAINFLUENZA VIRUS 5 (SV5) HEMAGGLUTININ-NEURAMINIDASE (HN) LIGAND DANA (SOAKED WITH DANA, PH 7.0) SIMIAN VIRUS 5 HEMAGGLUTININNEURAMINIDASEFUSIONTETRAMER HYDROLASE
Ref.: STRUCTURAL STUDIES OF THE PARAINFLUENZA VIRUS 5 HEMAGGLUTININ-NEURAMINIDASE TETRAMER IN COMPLEX WIT RECEPTOR, SIALYLLACTOSE. STRUCTURE V. 13 803 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:600;
Part of Protein;
none;
submit data
40.078 Ca [Ca+2...
DAN A:601;
Valid;
none;
submit data
291.255 C11 H17 N O8 CC(=O...
NAG NAG A:2;
A:4;
Part of Protein;
Part of Protein;
none;
none;
submit data
408.404 n/a O=C(N...
NDG A:1;
Part of Protein;
none;
submit data
221.208 C8 H15 N O6 CC(=O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1Z4V 2.3 Å EC: 3.2.1.18 PARAINFLUENZA VIRUS 5 (SV5) HEMAGGLUTININ-NEURAMINIDASE (HN) LIGAND DANA (SOAKED WITH DANA, PH 7.0) SIMIAN VIRUS 5 HEMAGGLUTININNEURAMINIDASEFUSIONTETRAMER HYDROLASE
Ref.: STRUCTURAL STUDIES OF THE PARAINFLUENZA VIRUS 5 HEMAGGLUTININ-NEURAMINIDASE TETRAMER IN COMPLEX WIT RECEPTOR, SIALYLLACTOSE. STRUCTURE V. 13 803 2005
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 25 families.
1 1Z4V - DAN C11 H17 N O8 CC(=O)N[C@....
2 1Z4X - SLT C23 H39 N O19 CC(=O)N[C@....
3 1Z4Z - DAN C11 H17 N O8 CC(=O)N[C@....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 20 families.
1 1Z4V - DAN C11 H17 N O8 CC(=O)N[C@....
2 1Z4X - SLT C23 H39 N O19 CC(=O)N[C@....
3 1Z4Z - DAN C11 H17 N O8 CC(=O)N[C@....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 15 families.
1 1Z4V - DAN C11 H17 N O8 CC(=O)N[C@....
2 1Z4X - SLT C23 H39 N O19 CC(=O)N[C@....
3 1Z4Z - DAN C11 H17 N O8 CC(=O)N[C@....
4 5B2D Kd = 56 uM SLT C23 H39 N O19 CC(=O)N[C@....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: DAN; Similar ligands found: 12
No: Ligand ECFP6 Tc MDL keys Tc
1 DAN 1 1
2 9AM 0.767857 0.913043
3 4AM 0.661017 0.913043
4 ZMR 0.590909 0.792453
5 KFN 0.542373 0.704545
6 49A 0.507692 0.87234
7 0HX 0.454545 0.75
8 RP6 0.452055 0.934783
9 LNV 0.434211 0.701754
10 FSI 0.408451 0.82
11 SIA 0.4 0.911111
12 SLB 0.4 0.911111
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1Z4V; Ligand: DAN; Similar sites found with APoc: 7
This union binding pocket(no: 1) in the query (biounit: 1z4v.bio2) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 4QN6 LNV 1.79028
2 4QN7 G39 1.79487
3 6GN6 MAL 2.23714
4 3TIC ZMR 2.55864
5 4HZX G39 3.09278
6 4B7J G39 5.54371
7 4GZP G39 7.88804
Pocket No.: 2; Query (leader) PDB : 1Z4V; Ligand: DAN; 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: 1z4v.bio2) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1Z4V; Ligand: DAN; 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: 1z4v.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1Z4V; Ligand: DAN; 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: 1z4v.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 1Z4V; Ligand: DAN; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 1z4v.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 1Z4V; Ligand: DAN; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 1z4v.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
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