Receptor
PDB id Resolution Class Description Source Keywords
5MFU 2.15 Å EC: 7.-.-.- PA3825-EAL MN-PGPG STRUCTURE PSEUDOMONAS AERUGINOSA EAL PHOSPHODIESTERASE BIOFILM FORMATION P AERUGINOSA PA3HYDROLASE
Ref.: DIMERISATION INDUCED FORMATION OF THE ACTIVE SITE A IDENTIFICATION OF THREE METAL SITES IN EAL-PHOSPHODIESTERASES. SCI REP V. 7 42166 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
G G A:503;
Valid;
none;
submit data
n/a n/a
MN A:501;
Part of Protein;
none;
submit data
54.938 Mn [Mn+2...
NA A:502;
Part of Protein;
none;
submit data
22.99 Na [Na+]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5MF5 1.77 Å EC: 7.-.-.- PA3825-EAL MG-CDG STRUCTURE PSEUDOMONAS AERUGINOSA EAL PHOSPHODIESTERASE BIOFILM FORMATION P AERUGINOSA PA3HYDROLASE
Ref.: DIMERISATION INDUCED FORMATION OF THE ACTIVE SITE A IDENTIFICATION OF THREE METAL SITES IN EAL-PHOSPHODIESTERASES. SCI REP V. 7 42166 2017
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 319 families.
1 5MF5 - C2E C20 H24 N10 O14 P2 c1nc2c(n1[....
2 5MFU - 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 271 families.
1 5MF5 - C2E C20 H24 N10 O14 P2 c1nc2c(n1[....
2 5MFU - G G n/a n/a
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 223 families.
1 5M1T - C2E C20 H24 N10 O14 P2 c1nc2c(n1[....
2 5MF5 - C2E C20 H24 N10 O14 P2 c1nc2c(n1[....
3 5MFU - G G n/a n/a
4 4LJ3 Kd < 1 nM C2E C20 H24 N10 O14 P2 c1nc2c(n1[....
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 : 5MF5; Ligand: C2E; Similar sites found with APoc: 3
This union binding pocket(no: 1) in the query (biounit: 5mf5.bio1) has 26 residues
No: Leader PDB Ligand Sequence Similarity
1 3GFZ C2E 26.9531
2 3GFZ C2E 26.9531
3 3HV8 C2E 40.2344
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