Receptor
PDB id Resolution Class Description Source Keywords
3ZJQ 1.9 Å NON-ENZYME: TRANSPORT M.ACETIVORANS PROTOGLOBIN IN COMPLEX WITH NICOTINAMIDE METHANOSARCINA ACETIVORANS IRON-BINDING PROTEIN
Ref.: STRUCTURE AND HAEM-DISTAL SITE PLASTICITY IN METHAN ACETIVORANS PROTOGLOBIN. PLOS ONE V. 8 66144 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
HEM A:200;
B:200;
Part of Protein;
Part of Protein;
none;
none;
submit data
616.487 C34 H32 Fe N4 O4 Cc1c2...
NCA B:300;
A:300;
Valid;
Valid;
none;
none;
submit data
122.125 C6 H6 N2 O c1cc(...
GOL A:1196;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3ZJQ 1.9 Å NON-ENZYME: TRANSPORT M.ACETIVORANS PROTOGLOBIN IN COMPLEX WITH NICOTINAMIDE METHANOSARCINA ACETIVORANS IRON-BINDING PROTEIN
Ref.: STRUCTURE AND HAEM-DISTAL SITE PLASTICITY IN METHAN ACETIVORANS PROTOGLOBIN. PLOS ONE V. 8 66144 2013
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 209 families.
1 3ZJQ - NCA C6 H6 N2 O c1cc(cnc1)....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 175 families.
1 3ZJQ - NCA C6 H6 N2 O c1cc(cnc1)....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 149 families.
1 3ZJQ - NCA C6 H6 N2 O c1cc(cnc1)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: NCA; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 NCA 1 1
2 UNU 0.433333 0.666667
3 0ON 0.428571 0.769231
4 3AB 0.411765 0.6
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3ZJQ; Ligand: NCA; 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: 3zjq.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3ZJQ; Ligand: NCA; 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: 3zjq.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback