Receptor
PDB id Resolution Class Description Source Keywords
3FPE 1.7 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF MTNAS IN COMPLEX WITH THERMONICOTIANAMI METHANOTHERMOBACTER THERMAUTOTROPHICUSORGANISM_TAXID: 187420 THERMONICOTIANAMINE NICOTIANAMINE BIOSYNTHETIC PROTEIN TR
Ref.: CRYSTALLOGRAPHIC SNAPSHOTS OF ITERATIVE SUBSTRATE TRANSLOCATIONS DURING NICOTIANAMINE SYNTHESIS IN AR PROC.NATL.ACAD.SCI.USA V. 106 16180 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BR B:300;
B:301;
Invalid;
Invalid;
none;
none;
submit data
79.904 Br [Br-]
TNA A:299;
B:299;
Valid;
Valid;
none;
none;
submit data
349.337 C13 H23 N3 O8 C(CC(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3FPF 1.66 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF MTNAS IN COMPLEX WITH MTA AND TNA METHANOTHERMOBACTER THERMAUTOTROPHICUSORGANISM_TAXID: 187420 THERMONICOTIANAMINE NICOTIANAMINE BIOSYNTHETIC PROTEIN TR
Ref.: CRYSTALLOGRAPHIC SNAPSHOTS OF ITERATIVE SUBSTRATE TRANSLOCATIONS DURING NICOTIANAMINE SYNTHESIS IN AR PROC.NATL.ACAD.SCI.USA V. 106 16180 2009
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 3FPF - MTA C11 H15 N5 O3 S CSC[C@@H]1....
2 3FPJ - SAM C15 H22 N6 O5 S C[S@@+](CC....
3 3FPE - TNA C13 H23 N3 O8 C(CC(=O)O)....
4 3FPH - GLU C5 H9 N O4 C(CC(=O)O)....
5 3O31 - 3O3 C9 H16 N2 O6 C(CC(=O)O)....
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 families.
1 3FPF - MTA C11 H15 N5 O3 S CSC[C@@H]1....
2 3FPJ - SAM C15 H22 N6 O5 S C[S@@+](CC....
3 3FPE - TNA C13 H23 N3 O8 C(CC(=O)O)....
4 3FPH - GLU C5 H9 N O4 C(CC(=O)O)....
5 3O31 - 3O3 C9 H16 N2 O6 C(CC(=O)O)....
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 3FPF - MTA C11 H15 N5 O3 S CSC[C@@H]1....
2 3FPJ - SAM C15 H22 N6 O5 S C[S@@+](CC....
3 3FPE - TNA C13 H23 N3 O8 C(CC(=O)O)....
4 3FPH - GLU C5 H9 N O4 C(CC(=O)O)....
5 3O31 - 3O3 C9 H16 N2 O6 C(CC(=O)O)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: TNA; Similar ligands found: 7
No: Ligand ECFP6 Tc MDL keys Tc
1 TNA 1 1
2 3O3 0.894737 0.942857
3 SHR 0.625 0.885714
4 AE5 0.543478 0.837838
5 GGL 0.463415 0.685714
6 DGL 0.463415 0.685714
7 GLU 0.463415 0.685714
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3FPF; Ligand: MTA; 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: 3fpf.bio1) has 39 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3FPF; Ligand: TNA; 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: 3fpf.bio1) has 40 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3FPF; Ligand: TNA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 3fpf.bio1) has 39 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3FPF; Ligand: MTA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 3fpf.bio1) has 40 residues
No: Leader PDB Ligand Sequence Similarity
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