Receptor
PDB id Resolution Class Description Source Keywords
4AFY 2.01 Å EC: 3.1.4.52 CRYSTAL STRUCTURE OF THE FIMX EAL DOMAIN IN COMPLEX WITH REACTION PRODUCT PGPG PSEUDOMONAS AERUGINOSA PAO1 HYDROLASE CDIGMP BIOFILM PHOSPHODIESTERASE
Ref.: CRYSTAL STRUCTURE OF AN EAL DOMAIN IN COMPLEX WITH PRODUCT 5'-PGPG PLOS ONE V. 7 52424 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NA A:804;
A:803;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
22.99 Na [Na+]
MG B:801;
A:802;
A:801;
 Part of Protein;
Part of Protein;
Part of Protein;
 none;
none;
none;
 submit data
24.305 Mg [Mg+2...
G G D:1;
C:1;
 Valid;
Valid;
 none;
none;
 submit data
n/a n/a
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3HV8 1.45 Å EC: 3.1.4.52 CRYSTAL STRUCTURE OF FIMX EAL DOMAIN FROM PSEUDOMONAS AERUGI TO C-DI-GMP PSEUDOMONAS AERUGINOSA PAO1 EAL PHOSPHODIESTERASE BIOFILM C-DI-GMP HYDROLASE
Ref.: STRUCTURAL ANALYSIS OF THE GGDEF-EAL DOMAIN-CONTAIN C-DI-GMP RECEPTOR FIMX. STRUCTURE V. 17 1104 2009
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3HV8 Kd = 104.2 nM C2E C20 H24 N10 O14 P2 c1nc2c(n1[....
2 4AFY - G G n/a n/a
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3HV8 Kd = 104.2 nM C2E C20 H24 N10 O14 P2 c1nc2c(n1[....
2 4AFY - G G n/a n/a
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3HV8 Kd = 104.2 nM C2E C20 H24 N10 O14 P2 c1nc2c(n1[....
2 4AFY - G G n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: G G ; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
Similar Ligands (3D)
Ligand no: 1; Ligand: G G ; Similar ligands found: 8
No: Ligand Similarity coefficient
1 G G 1.0000
2 A G 0.9840
3 G A 0.9812
4 A A 0.9637
5 C G 0.9457
6 C2E 0.9210
7 2BA 0.9000
8 C U 0.8882
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3HV8; Ligand: C2E; Similar sites found with APoc: 8
This union binding pocket(no: 1) in the query (biounit: 3hv8.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 3GFZ C2E 25
2 3GFZ C2E 25
3 3N3T C2E 38.0597
4 3N3T C2E 38.0597
5 5M1T C2E 38.4328
6 5M1T C2E 38.4328
7 5MF5 C2E 40.2344
8 5MKG C2E 40.5512
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