Receptor
PDB id Resolution Class Description Source Keywords
5CB7 1.35 Å NON-ENZYME: OTHER CRYSTALLOGRAPHIC STRUCTURE OF HUMAN ROTAVIRUS K8 VP8* IN COM A-TYPE HBGA ROTAVIRUS A (STRAIN HUMAN/JAPAN/K8/197P3A[9]-IX-RX-CX-MX-A1-NX-TX-EX-H3) CARBOHYDRATE-RECOGNIZING PROTEIN LECTIN ROTAVIRUS VP8* VPROTEIN SUGAR BINDING PROTEIN
Ref.: SUBSTANTIAL RECEPTOR-INDUCED STRUCTURAL REARRANGEME ROTAVIRUS VP8*: POTENTIAL IMPLICATIONS FOR CROSS-SP INFECTION. CHEMBIOCHEM V. 16 2176 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL B:307;
B:308;
 Invalid;
Invalid;
 none;
none;
 submit data
92.094 C3 H8 O3 C(C(C...
A2G GAL FUC B:304;
 Valid;
 none;
 submit data
n/a n/a
CL B:309;
B:310;
 Invalid;
Invalid;
 none;
none;
 submit data
35.453 Cl [Cl-]
GLA FUC A2G D:1;
C:1;
 Valid;
Valid;
 none;
none;
 submit data
n/a n/a
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5CB7 1.35 Å NON-ENZYME: OTHER CRYSTALLOGRAPHIC STRUCTURE OF HUMAN ROTAVIRUS K8 VP8* IN COM A-TYPE HBGA ROTAVIRUS A (STRAIN HUMAN/JAPAN/K8/197P3A[9]-IX-RX-CX-MX-A1-NX-TX-EX-H3) CARBOHYDRATE-RECOGNIZING PROTEIN LECTIN ROTAVIRUS VP8* VPROTEIN SUGAR BINDING PROTEIN
Ref.: SUBSTANTIAL RECEPTOR-INDUCED STRUCTURAL REARRANGEME ROTAVIRUS VP8*: POTENTIAL IMPLICATIONS FOR CROSS-SP INFECTION. CHEMBIOCHEM V. 16 2176 2015
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 5CB7 - A2G GAL FUC 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: A2G GAL FUC; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
Ligand no: 2; Ligand: GLA FUC A2G; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
Similar Ligands (3D)
Ligand no: 1; Ligand: A2G GAL FUC; Similar ligands found: 8
No: Ligand Similarity coefficient
1 A2G GAL FUC 1.0000
2 GLA FUC A2G 0.9651
3 GAL FUC A2G 0.9621
4 GL0 FUC A2G 0.9621
5 GAL FUC NGA 0.9621
6 GAL FUC GLA 0.9188
7 GAL FUC GAL 0.9168
8 GLA FUC GLA 0.9018
Ligand no: 2; 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) APoc FAQ
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