Receptor
PDB id Resolution Class Description Source Keywords
6BQ6 1.65 Å EC: 7.-.-.- CRYSTAL STRUCTURE OF MEDICAGO TRUNCATULA THERMOSPERMINE SYNT (MTTSPS) IN COMPLEX WITH THERMOSPERMINE MEDICAGO TRUNCATULA POLYAMINE BIOSYNTHESIS TETRAAMINE THERMOSPERMINE SPERMIDIAMINOPROPYL TRANSFERASE TRANSFERASE
Ref.: CRYSTAL STRUCTURE OF THERMOSPERMINE SYNTHASE FROMME TRUNCATULAAND SUBSTRATE DISCRIMINATORY FEATURES OF AMINOPROPYLTRANSFERASES. BIOCHEM. J. V. 475 787 2018
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
TER B:402;
A:402;
Valid;
Valid;
none;
none;
submit data
202.34 C10 H26 N4 C(CCN...
CL B:401;
A:401;
Invalid;
Invalid;
none;
none;
submit data
35.453 Cl [Cl-]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6BQ6 1.65 Å EC: 7.-.-.- CRYSTAL STRUCTURE OF MEDICAGO TRUNCATULA THERMOSPERMINE SYNT (MTTSPS) IN COMPLEX WITH THERMOSPERMINE MEDICAGO TRUNCATULA POLYAMINE BIOSYNTHESIS TETRAAMINE THERMOSPERMINE SPERMIDIAMINOPROPYL TRANSFERASE TRANSFERASE
Ref.: CRYSTAL STRUCTURE OF THERMOSPERMINE SYNTHASE FROMME TRUNCATULAAND SUBSTRATE DISCRIMINATORY FEATURES OF AMINOPROPYLTRANSFERASES. BIOCHEM. J. V. 475 787 2018
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 293 families.
1 6BQ6 - TER C10 H26 N4 C(CCNCCCNC....
2 6BQ7 - SPD C7 H19 N3 C(CCNCCCN)....
3 6BQ5 - MTA C11 H15 N5 O3 S CSC[C@@H]1....
4 6BQ4 - ADN C10 H13 N5 O4 c1nc(c2c(n....
5 6BQ3 - DSH C13 H20 N6 O3 S c1nc(c2c(n....
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 250 families.
1 6BQ6 - TER C10 H26 N4 C(CCNCCCNC....
2 6BQ7 - SPD C7 H19 N3 C(CCNCCCN)....
3 6BQ5 - MTA C11 H15 N5 O3 S CSC[C@@H]1....
4 6BQ4 - ADN C10 H13 N5 O4 c1nc(c2c(n....
5 6BQ3 - DSH C13 H20 N6 O3 S c1nc(c2c(n....
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 204 families.
1 6BQ6 - TER C10 H26 N4 C(CCNCCCNC....
2 6BQ7 - SPD C7 H19 N3 C(CCNCCCN)....
3 6BQ5 - MTA C11 H15 N5 O3 S CSC[C@@H]1....
4 6BQ4 - ADN C10 H13 N5 O4 c1nc(c2c(n....
5 6BQ3 - DSH C13 H20 N6 O3 S c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: TER; Similar ligands found: 9
No: Ligand ECFP6 Tc MDL keys Tc
1 TER 1 1
2 SPD 0.869565 1
3 37Z 0.73913 0.913043
4 SPM 0.708333 1
5 NSD 0.652174 0.913043
6 SP5 0.555556 0.71875
7 SS9 0.548387 0.958333
8 Q9C 0.5 0.71875
9 FKS 0.461538 0.638889
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6BQ6; Ligand: TER; 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: 6bq6.bio1) has 29 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 6BQ6; Ligand: TER; 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: 6bq6.bio1) has 29 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 6BQ6; Ligand: TER; 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: 6bq6.bio1) has 29 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 6BQ6; Ligand: TER; 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: 6bq6.bio1) has 29 residues
No: Leader PDB Ligand Sequence Similarity
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