Receptor
PDB id Resolution Class Description Source Keywords
6maj 2.14 Å EC: 2.3.1.48 HBO1 IS REQUIRED FOR THE MAINTENANCE OF LEUKAEMIA STEM CELLS HOMO SAPIENS MYST DOMAIN CANCER INHIBITOR ANTITUMOR PROTEIN ANTITUMOR INHIBITOR COMPLEX
Ref.: HBO1 IS REQUIRED FOR THE MAINTENANCE OF LEUKAEMIA S CELLS. NATURE V. 577 266 2020
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ZN A:701;
 Part of Protein;
 none;
 submit data
65.409 Zn [Zn+2...
JAV A:704;
 Valid;
 none;
 submit data
400.423 C20 H17 F N2 O4 S Cc1cc...
GOL A:703;
A:702;
 Invalid;
Invalid;
 none;
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
6MAK 2.13 Å EC: 2.3.1.48 HBO1 IS REQUIRED FOR THE MAINTENANCE OF LEUKAEMIA STEM CELLS HOMO SAPIENS MYST DOMAIN CANCER INHIBITOR ANTITUMOR PROTEIN ANTITUMOR TRANSFERASE COMPLEX
Ref.: HBO1 IS REQUIRED FOR THE MAINTENANCE OF LEUKAEMIA S CELLS. NATURE V. 577 266 2020
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 64 families.
1 5GK9 - ACO C23 H38 N7 O17 P3 S CC(=O)SCCN....
2 6MAK - ACO C23 H38 N7 O17 P3 S CC(=O)SCCN....
3 6MAJ - JAV C20 H17 F N2 O4 S Cc1cc(cc(c....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 35 families.
1 5GK9 - ACO C23 H38 N7 O17 P3 S CC(=O)SCCN....
2 6MAK - ACO C23 H38 N7 O17 P3 S CC(=O)SCCN....
3 6MAJ - JAV C20 H17 F N2 O4 S Cc1cc(cc(c....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 25 families.
1 5GK9 - ACO C23 H38 N7 O17 P3 S CC(=O)SCCN....
2 6MAK - ACO C23 H38 N7 O17 P3 S CC(=O)SCCN....
3 6MAJ - JAV C20 H17 F N2 O4 S Cc1cc(cc(c....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: JAV; Similar ligands found: 9
No: Ligand ECFP6 Tc MDL keys Tc
1 JAV 1 1
2 7KM 0.753623 0.919355
3 O9J 0.505882 0.863636
4 O9M 0.505882 0.814286
5 O9S 0.458824 0.923077
6 O9P 0.454545 0.882353
7 O9V 0.443182 0.84507
8 MNJ 0.439024 0.887097
9 O9Y 0.436782 0.76
Similar Ligands (3D)
Ligand no: 1; Ligand: JAV; Similar ligands found: 4
No: Ligand Similarity coefficient
1 FCV 0.9406
2 ML7 0.9386
3 MLV 0.9357
4 O9A 0.8682
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6MAK; Ligand: ACO; Similar sites found with APoc: 3
This union binding pocket(no: 1) in the query (biounit: 6mak.bio1) has 31 residues
No: Leader PDB Ligand Sequence Similarity
1 1NU4 MLA 19.2308
2 1NU4 MLA 19.2308
3 1NU4 MLA 19.2308
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