Receptor
PDB id Resolution Class Description Source Keywords
6B9P 2 Å EC: 3.2.1.24 STRUCTURE OF GH 38 JACK BEAN ALPHA-MANNOSIDASE IN COMPLEX WI VALENT IMINOSUGAR CLUSTER INHIBITOR CANAVALIA ENSIFORMIS MANNOSIDASE PLANT PROTEIN HYDROLASE
Ref.: STRUCTURAL BASIS OF OUTSTANDING MULTIVALENT EFFECTS BEAN ALPHA-MANNOSIDASE INHIBITION. ANGEW. CHEM. INT. ED. ENGL. V. 57 8002 2018
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
D0J B:1001;
A:1001;
 Valid;
Valid;
 none;
none;
 Ki = 0.001 uM
400.513 C19 H36 N4 O5 COCc1...
NAG NAG D:1;
F:1;
 Invalid;
Invalid;
 none;
none;
 submit data
408.404 n/a O=C(N...
ZN A:1002;
B:1002;
 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
6B9P 2 Å EC: 3.2.1.24 STRUCTURE OF GH 38 JACK BEAN ALPHA-MANNOSIDASE IN COMPLEX WI VALENT IMINOSUGAR CLUSTER INHIBITOR CANAVALIA ENSIFORMIS MANNOSIDASE PLANT PROTEIN HYDROLASE
Ref.: STRUCTURAL BASIS OF OUTSTANDING MULTIVALENT EFFECTS BEAN ALPHA-MANNOSIDASE INHIBITION. ANGEW. CHEM. INT. ED. ENGL. V. 57 8002 2018
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 6B9P Ki = 0.001 uM D0J C19 H36 N4 O5 COCc1cn(nn....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 6B9P Ki = 0.001 uM D0J C19 H36 N4 O5 COCc1cn(nn....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 6B9P Ki = 0.001 uM D0J C19 H36 N4 O5 COCc1cn(nn....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: D0J; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 D0J 1 1
2 6A9 0.550725 0.746269
3 NND 0.5 0.705882
4 NBV 0.434783 0.701493
Similar Ligands (3D)
Ligand no: 1; Ligand: D0J; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6B9P; Ligand: D0J; 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: 6b9p.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 6B9P; Ligand: D0J; 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: 6b9p.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
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