Receptor
PDB id Resolution Class Description Source Keywords
4DRV 1.56 Å NON-ENZYME: OTHER CELL ATTACHMENT PROTEIN VP8* OF A HUMAN ROTAVIRUS SPECIFICAL INTERACTS WITH A-TYPE HISTO-BLOOD GROUP ANTIGEN ROTAVIRUS SP. OTAVIRUS VIRAL PROTEIN CELL ATTACHMENT FACTOR HISTO BLOODANTIGEN GALECTIN-FOLD
Ref.: CELL ATTACHMENT PROTEIN VP8* OF A HUMAN ROTAVIRUS SPECIFICALLY INTERACTS WITH A-TYPE HISTO-BLOOD GROU ANTIGEN. NATURE V. 485 256 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GLA FUC A2G B:1;
Valid;
none;
submit data
n/a n/a
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4DS0 1.56 Å NON-ENZYME: OTHER CELL ATTACHMENT PROTEIN VP8* OF A HUMAN ROTAVIRUS SPECIFICAL INTERACTS WITH A-TYPE HISTO-BLOOD GROUP ANTIGEN ROTAVIRUS SP. OTAVIRUS VIRAL PROTEIN CELL ATTACHMENT FACTOR HISTO BLOODANTIGEN GALECTIN-FOLD
Ref.: CELL ATTACHMENT PROTEIN VP8* OF A HUMAN ROTAVIRUS SPECIFICALLY INTERACTS WITH A-TYPE HISTO-BLOOD GROU ANTIGEN. NATURE V. 485 256 2012
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 4DS0 - NAG GAL FUC A2G n/a n/a
2 4DRV - GLA FUC A2G n/a n/a
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 4DS0 - NAG GAL FUC A2G n/a n/a
2 4DRV - GLA FUC A2G n/a n/a
3 5CB7 - A2G GAL FUC n/a n/a
50% Homology Family (27)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 3TB0 - MN0 C12 H21 N O10 CO[C@@]1(C....
2 2P3I Kd = 0.33 mM MNA C12 H21 N O9 CC(=O)N[C@....
3 2P3J - MNA C12 H21 N O9 CC(=O)N[C@....
4 2P3K - MNA C12 H21 N O9 CC(=O)N[C@....
5 4DS0 - NAG GAL FUC A2G n/a n/a
6 4DRV - GLA FUC A2G n/a n/a
7 4YG0 - BGC GAL NAG GAL n/a n/a
8 4YFZ - BGC GAL NAG GAL n/a n/a
9 5YMS - A2G GAL NAG n/a n/a
10 5YMT - GLC GAL NAG GAL n/a n/a
11 5VKS - GLC GAL NAG GAL FUC n/a n/a
12 5VKI - NGA THR GAL NAG n/a n/a
13 3TAY Kd = 0.42 mM MN0 C12 H21 N O10 CO[C@@]1(C....
14 3SIT - GLC GAL SIA n/a n/a
15 5CA6 - PLM C16 H32 O2 CCCCCCCCCC....
16 2I2S - MNA C12 H21 N O9 CC(=O)N[C@....
17 3SIS - GLC GAL NGC n/a n/a
18 4YG6 - BGC GAL NAG GAL n/a n/a
19 5CB7 - A2G GAL FUC n/a n/a
20 5VX9 - BGC GAL NAG GAL FUC n/a n/a
21 5VX5 - BGC GAL NAG GAL FUC n/a n/a
22 1KQR - MNA C12 H21 N O9 CC(=O)N[C@....
23 6H9Y - NAG GAL n/a n/a
24 6K2O - GAL NAG GAL FUC n/a n/a
25 6H9W - CIT C6 H8 O7 C(C(=O)O)C....
26 6K2N - A2G GAL NAG n/a n/a
27 6HA0 - NAG GAL FUC n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: GLA FUC A2G; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
Similar Ligands (3D)
Ligand no: 1; Ligand: GLA FUC A2G; Similar ligands found: 8
No: Ligand Similarity coefficient
1 GLA FUC A2G 1.0000
2 GAL FUC A2G 0.9651
3 GAL FUC NGA 0.9651
4 GL0 FUC A2G 0.9651
5 A2G GAL FUC 0.9651
6 GLA FUC GLA 0.9358
7 GAL FUC GLA 0.9205
8 GAL FUC GAL 0.9161
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4DS0; Ligand: NAG GAL FUC A2G; 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: 4ds0.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
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