Receptor
PDB id Resolution Class Description Source Keywords
4EHQ 1.9 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF CALMODULIN BINDING DOMAIN OF ORAI1 IN C WITH CA2+/CALMODULIN DISPLAYS A UNIQUE BINDING MODE RATTUS NORVEGICUS CALMODULIN ORAI1 CALCIUM DEPENDENT INACTIVATION EF HAND BINDING CALCIUM-DEPENDENT INACTIVATION CALMODULIN BINDINGOF ORAI1 NONE CYTOSOL PROTEIN BINDING
Ref.: CRYSTAL STRUCTURE OF CALMODULIN BINDING DOMAIN OF O COMPLEX WITH CA2+*CALMODULIN DISPLAYS A UNIQUE BIND J.BIOL.CHEM. V. 287 43030 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:201;
A:202;
A:203;
A:204;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
40.078 Ca [Ca+2...
GBL A:205;
A:206;
A:207;
G:101;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
86.089 C4 H6 O2 C1CC(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4EHQ 1.9 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF CALMODULIN BINDING DOMAIN OF ORAI1 IN C WITH CA2+/CALMODULIN DISPLAYS A UNIQUE BINDING MODE RATTUS NORVEGICUS CALMODULIN ORAI1 CALCIUM DEPENDENT INACTIVATION EF HAND BINDING CALCIUM-DEPENDENT INACTIVATION CALMODULIN BINDINGOF ORAI1 NONE CYTOSOL PROTEIN BINDING
Ref.: CRYSTAL STRUCTURE OF CALMODULIN BINDING DOMAIN OF O COMPLEX WITH CA2+*CALMODULIN DISPLAYS A UNIQUE BIND J.BIOL.CHEM. V. 287 43030 2012
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 4EHQ - GBL C4 H6 O2 C1CC(=O)OC....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 families.
1 4EHQ - GBL C4 H6 O2 C1CC(=O)OC....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 4EHQ - GBL C4 H6 O2 C1CC(=O)OC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GBL; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 GBL 1 1
2 ECE 0.6 0.842105
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4EHQ; Ligand: GBL; 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: 4ehq.bio1) has 4 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4EHQ; Ligand: GBL; 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: 4ehq.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4EHQ; Ligand: GBL; 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: 4ehq.bio1) has 5 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4EHQ; Ligand: GBL; 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: 4ehq.bio1) has 4 residues
No: Leader PDB Ligand Sequence Similarity
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