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 1256 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 1068 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 922 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: 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 P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4EHQ; Ligand: GBL; Similar sites found: 11
This union binding pocket(no: 2) in the query (biounit: 4ehq.bio1) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2APC UDM 0.01063 0.42639 5.40541
2 1Q8V MAN MAN 0.006874 0.40546 5.40541
3 3UB7 ACM 0.00894 0.40108 5.40541
4 1KHT AMP 0.003478 0.42374 6.08108
5 5TDF ADE 0.001837 0.41901 6.08108
6 3ZOK NAD 0.0104 0.41033 8.10811
7 2OFV 242 0.02008 0.41998 9.45946
8 4RW3 TDA 0.009045 0.40137 12.8378
9 2BHW LUX 0.02472 0.40121 12.8378
10 3HRD FAD 0.00881 0.46989 16.8919
11 3HRD MCN 0.01512 0.41944 16.8919
Pocket No.: 3; Query (leader) PDB : 4EHQ; Ligand: GBL; Similar sites found: 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 P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4EHQ; Ligand: GBL; Similar sites found: 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 P-value (APoc) PS_Score (APoc) Sequence Similarity
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