Receptor
PDB id Resolution Class Description Source Keywords
3LGG 2.5 Å EC: 3.5.4.4 CRYSTAL STRUCTURE OF HUMAN ADENOSINE DEAMINASE GROWTH FACTOR ADENOSINE DEAMINASE TYPE 2 (ADA2) COMPLEXED WITH TRANSITIONA NALOGUE, COFORMYCIN HOMO SAPIENS TIM BARREL DIMERIZATION AND RECEPTOR BINDING DOMAINS GLYCOHYDROLASE GROWTH FACTOR SECRETED
Ref.: STRUCTURAL BASIS FOR THE GROWTH FACTOR ACTIVITY OF ADENOSINE DEAMINASE ADA2. J.BIOL.CHEM. V. 285 12367 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CFE A:513;
B:513;
Valid;
Valid;
none;
none;
submit data
284.269 C11 H16 N4 O5 c1nc2...
NAG A:509;
A:510;
A:511;
B:509;
B:510;
B:511;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
submit data
221.208 C8 H15 N O6 CC(=O...
ZN A:512;
B:512;
Part of Protein;
Part of Protein;
none;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3LGG 2.5 Å EC: 3.5.4.4 CRYSTAL STRUCTURE OF HUMAN ADENOSINE DEAMINASE GROWTH FACTOR ADENOSINE DEAMINASE TYPE 2 (ADA2) COMPLEXED WITH TRANSITIONA NALOGUE, COFORMYCIN HOMO SAPIENS TIM BARREL DIMERIZATION AND RECEPTOR BINDING DOMAINS GLYCOHYDROLASE GROWTH FACTOR SECRETED
Ref.: STRUCTURAL BASIS FOR THE GROWTH FACTOR ACTIVITY OF ADENOSINE DEAMINASE ADA2. J.BIOL.CHEM. V. 285 12367 2010
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 3LGG - CFE C11 H16 N4 O5 c1nc2c(n1[....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 3LGG - CFE C11 H16 N4 O5 c1nc2c(n1[....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 3LGG - CFE C11 H16 N4 O5 c1nc2c(n1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: CFE; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 CFE 1 1
2 MCF 0.8 0.897059
3 DCF 0.591549 0.954545
4 SNI 0.453333 0.895522
5 NOS 0.447368 0.909091
6 GMP 0.4 0.857143
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3LGG; Ligand: CFE; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 3lgg.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3LGG; Ligand: CFE; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 3lgg.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
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