Receptor
PDB id Resolution Class Description Source Keywords
1ZOT 2.2 Å EC: 4.6.1.1 CRYSTAL STRUCTURE ANALYSIS OF THE CYAA/C-CAM WITH PMEAPP BORDETELLA PERTUSSIS CYAA ADENYLYL CYCLASE TOXIN PMEAPP ATP CALMODULIN- BINDING LYASE
Ref.: STRUCTURAL BASIS FOR THE INTERACTION OF BORDETELLA PERTUSSIS ADENYLYL CYCLASE TOXIN WITH CALMODULIN. EMBO J. V. 24 3190 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA B:800;
B:801;
Part of Protein;
Part of Protein;
none;
none;
submit data
40.078 Ca [Ca+2...
EMA A:900;
Valid;
none;
submit data
433.146 C8 H14 N5 O10 P3 c1nc(...
MG A:901;
A:902;
A:903;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1ZOT 2.2 Å EC: 4.6.1.1 CRYSTAL STRUCTURE ANALYSIS OF THE CYAA/C-CAM WITH PMEAPP BORDETELLA PERTUSSIS CYAA ADENYLYL CYCLASE TOXIN PMEAPP ATP CALMODULIN- BINDING LYASE
Ref.: STRUCTURAL BASIS FOR THE INTERACTION OF BORDETELLA PERTUSSIS ADENYLYL CYCLASE TOXIN WITH CALMODULIN. EMBO J. V. 24 3190 2005
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 1ZOT - EMA C8 H14 N5 O10 P3 c1nc(c2c(n....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 1ZOT - EMA C8 H14 N5 O10 P3 c1nc(c2c(n....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 1ZOT - EMA C8 H14 N5 O10 P3 c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: EMA; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 EMA 1 1
2 5HG 0.701493 0.954545
3 TNM 0.5 0.9
4 EOI 0.494118 0.863014
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1ZOT; Ligand: EMA; Similar sites found: 7
This union binding pocket(no: 1) in the query (biounit: 1zot.bio1) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4WS6 WBU 0.01741 0.40213 2.10084
2 4W6Z 8ID 0.02022 0.41721 7.24638
3 1REQ DCA 0.04372 0.40607 10.1449
4 5X7Q GLC GLC 0.006817 0.42638 15.0838
5 4ZBY URA 0.01118 0.41111 15.942
6 1R6D NAD 0.0494 0.41057 23.1884
7 5EP2 AZU 0.0154 0.40455 31.8841
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