Receptor
PDB id Resolution Class Description Source Keywords
1WHT 2 Å EC: 3.4.16.6 STRUCTURE OF THE COMPLEX OF L-BENZYLSUCCINATE WITH WHEAT SER CARBOXYPEPTIDASE II AT 2.0 ANGSTROMS RESOLUTION TRITICUM AESTIVUM SERINE CARBOXYPEPTIDASE
Ref.: STRUCTURE OF THE COMPLEX OF L-BENZYLSUCCINATE WITH SERINE CARBOXYPEPTIDASE II AT 2.0-A RESOLUTION. BIOCHEMISTRY V. 33 11127 1994
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BZS A:430;
Valid;
none;
Ki = 0.2 mM
208.211 C11 H12 O4 c1ccc...
FUC NAG NDG A:1132;
Part of Protein;
none;
submit data n/a n/a n/a n/a
NAG A:1131;
Part of Protein;
none;
submit data
221.208 C8 H15 N O6 CC(=O...
NAG NAG B:2911;
Part of Protein;
none;
submit data
408.404 n/a O=C(N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1WHT 2 Å EC: 3.4.16.6 STRUCTURE OF THE COMPLEX OF L-BENZYLSUCCINATE WITH WHEAT SER CARBOXYPEPTIDASE II AT 2.0 ANGSTROMS RESOLUTION TRITICUM AESTIVUM SERINE CARBOXYPEPTIDASE
Ref.: STRUCTURE OF THE COMPLEX OF L-BENZYLSUCCINATE WITH SERINE CARBOXYPEPTIDASE II AT 2.0-A RESOLUTION. BIOCHEMISTRY V. 33 11127 1994
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1BCR - ARG C6 H15 N4 O2 C(C[C@@H](....
2 1BCS - ARG C6 H15 N4 O2 C(C[C@@H](....
3 1WHT Ki = 0.2 mM BZS C11 H12 O4 c1ccc(cc1)....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1GXS - DKA C10 H20 O2 CCCCCCCCCC....
2 1BCR - ARG C6 H15 N4 O2 C(C[C@@H](....
3 1BCS - ARG C6 H15 N4 O2 C(C[C@@H](....
4 1WHT Ki = 0.2 mM BZS C11 H12 O4 c1ccc(cc1)....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1GXS - DKA C10 H20 O2 CCCCCCCCCC....
2 1BCR - ARG C6 H15 N4 O2 C(C[C@@H](....
3 1BCS - ARG C6 H15 N4 O2 C(C[C@@H](....
4 1WHT Ki = 0.2 mM BZS C11 H12 O4 c1ccc(cc1)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: BZS; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 BZS 1 1
2 HF2 0.512195 0.727273
3 HFA 0.512195 0.727273
4 PAC 0.425 0.684211
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1WHT; Ligand: BZS; 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: 1wht.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1WHT; Ligand: BZS; 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: 1wht.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1WHT; Ligand: BZS; 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: 1wht.bio2) has 13 residues
No: Leader PDB Ligand Sequence Similarity
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