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Receptor
PDB id Resolution Class Description Source Keywords
4N7U 1.46 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF INTRACELLULAR B30.2 DOMAIN OF BTN3A1 IN WITH CHDMAPP HOMO SAPIENS BUTYROPHILIN CD277 PHOSPHOANTIGEN B30.2 PRY/SPRY SIGNALPROTEIN
Ref.: THE INTRACELLULAR B30.2 DOMAIN OF BUTYROPHILIN 3A1 PHOSPHOANTIGENS TO MEDIATE ACTIVATION OF HUMAN V GA DELTA 2 T CELLS. IMMUNITY V. 40 490 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
2JA A:501;
Valid;
none;
Kd ~ 0.5 uM
260.119 C6 H14 O7 P2 C/C(=...
GOL A:502;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4N7U 1.46 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF INTRACELLULAR B30.2 DOMAIN OF BTN3A1 IN WITH CHDMAPP HOMO SAPIENS BUTYROPHILIN CD277 PHOSPHOANTIGEN B30.2 PRY/SPRY SIGNALPROTEIN
Ref.: THE INTRACELLULAR B30.2 DOMAIN OF BUTYROPHILIN 3A1 PHOSPHOANTIGENS TO MEDIATE ACTIVATION OF HUMAN V GA DELTA 2 T CELLS. IMMUNITY V. 40 490 2014
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 5LYK - FLC C6 H5 O7 C(C(=O)[O-....
2 5LYG - MLI C3 H2 O4 C(C(=O)[O-....
3 4N7U Kd ~ 0.5 uM 2JA C6 H14 O7 P2 C/C(=CCCP(....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 families.
1 5LYK - FLC C6 H5 O7 C(C(=O)[O-....
2 5LYG - MLI C3 H2 O4 C(C(=O)[O-....
3 4N7U Kd ~ 0.5 uM 2JA C6 H14 O7 P2 C/C(=CCCP(....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 5LYK - FLC C6 H5 O7 C(C(=O)[O-....
2 5LYG - MLI C3 H2 O4 C(C(=O)[O-....
3 4N7U Kd ~ 0.5 uM 2JA C6 H14 O7 P2 C/C(=CCCP(....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 2JA; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 2JA 1 1
2 H6P 0.416667 0.878049
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4N7U; Ligand: 2JA; Similar sites found with APoc: 11
This union binding pocket(no: 1) in the query (biounit: 4n7u.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
1 4EAY CS2 3.15789
2 5HZ5 65X 3.73134
3 2B7N NTM 4.73684
4 1Z83 AP5 4.73684
5 3KB9 BTM 4.73684
6 2GC0 PAN 5.85106
7 1NMK SFM 7.27273
8 4KWD JF2 8.42105
9 3SAO NKN 9.375
10 4HDH ATP 10.5263
11 3VQ2 LP4 LP5 MYR DAO 14.7368
Pocket No.: 2; Query (leader) PDB : 4N7U; Ligand: 2JA; Similar sites found with APoc: 2
This union binding pocket(no: 2) in the query (biounit: 4n7u.bio2) has 9 residues
No: Leader PDB Ligand Sequence Similarity
1 1ITZ TPP 2.63158
2 1T36 ADP 4.73684
Pocket No.: 3; Query (leader) PDB : 4N7U; Ligand: 2JA; 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: 4n7u.bio2) has 9 residues
No: Leader PDB Ligand Sequence Similarity
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