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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 with APoc: 16
This union binding pocket(no: 1) in the query (biounit: 1zot.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 4XJ7 ADE 1.87266
2 4WS6 WBU 2.10084
3 5J5R IMP 2.89855
4 5J5R 6G1 2.89855
5 2C6Q NDP 3.4188
6 5TCI MLI 5.43478
7 4W6Z 8ID 7.24638
8 1KY8 NAP 7.82123
9 4PZ2 NAD 8.69565
10 1REQ DCA 10.1449
11 4XYM COA 14.4928
12 5X7Q GLC GLC 15.0838
13 5LXT GTP 17.3913
14 1R6D NAD 23.1884
15 5EP2 AZU 31.8841
16 6CI9 NAP 40.5797
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